CAS RN: 2393-61-5
3-ALPHA-HYDROXY-6-KETOCHOLANIC ACID
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.20260105 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2393-61-5
- Purity/Analytical Methods: >99.0%
2393-61-5 / (4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Basic Information
CAS
2393-61-5
Multi CAS
No
Molecular Formula
C24H38O4
Molecular Weight
390.600000
Exact Mass
390.277010
SMILES
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@H]4[C@@]3(CC[C@H](C4)O)C)C
InChI
InChI=1S/C24H38O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,23-,24-/m1/s1
InChIKey
JWZBXKZZDYMDCJ-IJPFKRJSSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.92
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
107.65
TPSA
74.6
LogP / Solubility
WLOGP
4.69
MLOGP
4.15
XLogP3
4.6
Consensus LogP
4.48
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.57
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5
