CAS RN: 708273-57-8
4-Hydroxy-4-(6-methoxypyridin-3-yl)cyclohexanone
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.20250310 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-180545
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: 0.25g, 1g, 0.1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 2
- 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.
708273-57-8 / 4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexan-1-one
Basic Information
CAS
708273-57-8
Multi CAS
No
Molecular Formula
C12H15NO3
Molecular Weight
221.250000
Exact Mass
221.105193
InChI
InChI=1S/C12H15NO3/c1-16-11-3-2-9(8-13-11)12(15)6-4-10(14)5-7-12/h2-3,8,15H,4-7H2,1H3
InChIKey
VQZVMRZEBPGSFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.16
TPSA
59.42
LogP / Solubility
WLOGP
1.42
MLOGP
1.25
XLogP3
0.3
Consensus LogP
0.99
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately 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)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
1-(6-bromopyridin-3-yl)-N,N-dimethylmethanamine
- CAS RN: 708273-78-3
- Product Code: SSC-180547
-
-
8-(5-bromopyridin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
- CAS RN: 708274-37-7
- Product Code: SSC-180550
-
1-Pyrrolidinecarboxylicacid,4-amino-2-methyl-,1,1-dimethylethylester,(2S,4R)-(9CI)
- CAS RN: 708274-46-8
- Product Code: SSC-180551
-
JNJ-10397049
- CAS RN: 708275-58-5
- Product Code: starshine_CAS708275-58-5
- Purity/Analytical method: >99.0%
![CAS 708274-37-7 8-(5-bromopyridin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/708274-37-7.gif)
