CAS RN: 70254-61-4
4H-Pyran-4-one,2-hydroxy-6-methyl-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251029 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-180054
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
70254-61-4 / 4-hydroxy-6-methylpyran-2-one
Basic Information
CAS
70254-61-4
Multi CAS
No
Molecular Formula
C6H6O3
Molecular Weight
126.110000
Exact Mass
126.031694
InChI
InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3
InChIKey
NSYSSMYQPLSPOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.38
TPSA
50.44
LogP / Solubility
WLOGP
0.65
MLOGP
0.57
XLogP3
0.5
Consensus LogP
0.57
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.02
Class (SILICOS-IT)
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)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
-
(1R,5S)-spiro[bicyclo[3.2.1]octane-8,2′-[1,3]dioxolan]-3-one
- CAS RN: 70260-47-8
- Product Code: SSC-180061
![CAS 70260-47-8 (1R,5S)-spiro[bicyclo[3.2.1]octane-8,2′-[1,3]dioxolan]-3-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/70260-47-8.gif)