![CAS 504-02-9 1,3-Cyclohexanedione [for HPLC Labeling] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a5581-jpgcontextbwfzdgvyfhjvb3r8mze2oth8aw1hz2uvanblz3xomjqvadi4lzg5mjg1mtg1mzcyndyvqtu1odeuanbnfdy1zji5mge0yjczntkwymewzwixyzyxmdm1ztuwote3zme2zjaznzrjodkymzc1ngyznwy3yzuxmgzkmgqyyza.jpeg)
CAS RN: 504-02-9
1,3-Cyclohexanedione [for HPLC Labeling]
Product Availability
Choose a grade to view its available package options.
10 package records9 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250619 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251017 | 100g | In stock | Shanghai, Shandong, Hebei | Inquiry | |
| Batchno.20251210 | 2.5kg | In stock | Shandong | Inquiry | |
| Batchno.20250717 | 25g | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry | |
| Batchno.20260224 | 500g | In stock | Shanghai, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250906 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-156917
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 25g, 100g, 500g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
504-02-9 / cyclohexane-1,3-dione
Basic Information
CAS
504-02-9
Multi CAS
Yes
Molecular Formula
C6H8O2
Molecular Weight
112.130000
Exact Mass
112.052429
InChI
InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2
InChIKey
HJSLFCCWAKVHIW-UHFFFAOYSA-N
Physical Properties
Physical Description
Dry Powder
Solid; [Merck Index] Light brown powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.67
H-bond acceptors
2
Molar refractivity
28.48
TPSA
34.14
LogP / Solubility
WLOGP
0.7
MLOGP
0.6
Consensus LogP
0.43
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 131467-87-3 NBD-H (=4-Hydrazino-7-nitro-2,1,3-benzoxadiazole Hydrazine) [for HPLC Labeling] molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
NBD-H (=4-Hydrazino-7-nitro-2,1,3-benzoxadiazole Hydrazine) [for HPLC Labeling]
- CAS RN: 131467-87-3
- Product Code: ICTA5557
- Purity/Analytical method: >98.0%(HPLC)
-
ABD-F [=4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole] [HPLC Labeling Reagent for Determination of Thiols]
- CAS RN: 91366-65-3
- Product Code: ICTA5597
- Purity/Analytical method: >98.0%(T)(N)
-
DBD-H [=4-(N,N-Dimethylaminosulfonyl)-7-hydrazino-2,1,3-benzoxadiazole] [for HPLC Labeling]
- CAS RN: 131467-86-2
- Product Code: ICTA5556
- Purity/Analytical method: >98.0%(HPLC)
-
DBD-COCl [=4-(N,N-Dimethylaminosulfonyl)-7-(N-chloroformylmethyl-N-methylamino)-2,1,3-benzoxadiazole] [for HPLC Labeling]
- CAS RN: 156153-43-4
- Product Code: ICTA5558
- Purity/Analytical method: >93.0%(T)
-
-
(S)-(-)-DBD-Pro-COCl [=(S)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(2-chloroformylpyrrolidin-1-yl)-2,1,3-benzoxadiazole] [HPLC Labeling Reagent for e.e. Determination]
- CAS RN: 150993-63-8
- Product Code: ICTA5564
- Purity/Analytical method: >90.0%(HPLC)
![CAS 131467-87-3 NBD-H (=4-Hydrazino-7-nitro-2,1,3-benzoxadiazole Hydrazine) [for HPLC Labeling] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a5557-jpgcontextbwfzdgvyfhjvb3r8mzq1mzn8aw1hz2uvanblz3xonwevageylzg5mjg1mtcwotu0ntqvqtu1ntcuanbnfdk1zgjlowu1ntyyzjezmjnhmtq2yte2mwq4ywy4otg1m2qwyjixndq2njhizdbimzmxmje2owq2ztrmnjq0zda.jpeg)
![CAS 91366-65-3 ABD-F [=4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole] [HPLC Labeling Reagent for Determination of Thiols] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a5597-jpgcontextbwfzdgvyfhjvb3r8mzkwmdb8aw1hz2uvanblz3xozdyvade5lzg5mjg1mtg5otu5otgvqtu1otcuanbnfgizmta1yze1yjjhzdk4ntgwnmqxmwuzyjg0zjnhzda2ogexmjgyytc1yjdiytjjzdvkymu0nzjjmznmnzhlntg.jpeg)
![CAS 131467-86-2 DBD-H [=4-(N,N-Dimethylaminosulfonyl)-7-hydrazino-2,1,3-benzoxadiazole] [for HPLC Labeling] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a5556-jpgcontextbwfzdgvyfhjvb3r8ndi3mtn8aw1hz2uvanblz3xomwivagezlzg5mjg1mtcwmjk5mtgvqtu1ntyuanbnfge1yty0ntgyzti1owjlyjuzzwq3zgi0njm2otqyywjmntq0zme5nwjiowq5zdm2zdcyzdy5ngu0mjmxyzyxzwy.jpeg)
![CAS 156153-43-4 DBD-COCl [=4-(N,N-Dimethylaminosulfonyl)-7-(N-chloroformylmethyl-N-methylamino)-2,1,3-benzoxadiazole] [for HPLC Labeling] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a5558-jpgcontextbwfzdgvyfhjvb3r8ndm4mjj8aw1hz2uvanblz3xondkvadlmlzg5mjg1mtcxnja5otavqtu1ntguanbnfgu4zwnizti0mge4ntgymddmnwqwmzmzyte1yznkzme5nzu3zdc4ytuymjjkytu4mzc0ngy0zmfjymnhm2y0n2i.jpeg)
![CAS 643-79-8 o-Phthalaldehyde [for HPLC Labeling] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p0280-jpgcontextbwfzdgvyfhjvb3r8mzy4mjf8aw1hz2uvanblz3xonjkvadbklzg5mze4otq0mjc2nzgvudayodauanbnfdayotllnwizzdkzm2fjyzu0mmyxmwqxzji0yjjjnjq1ndcznzmxytm1yznmogq4odrjm2qzmtzhmdfmntiwzge.jpeg)
![CAS 150993-63-8 (S)-(-)-DBD-Pro-COCl [=(S)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(2-chloroformylpyrrolidin-1-yl)-2,1,3-benzoxadiazole] [HPLC Labeling Reagent for e.e. Determination] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a5564-jpgcontextbwfzdgvyfhjvb3r8ndeznjz8aw1hz2uvanblz3xoy2mvadk0lzg5mjg1mtc0odg2nzavqtu1njquanbnfdnhmdflodq0mzviztqzzwm0n2q2mdu5mtm1nzjmnje1mgiwmjq1otzhyzm2m2yzndy1zgqxngzmywizmwvjmju.jpeg)