CAS RN: 24637-46-5
Chol-9(11)-en-24-oic acid, 3,12-dihydroxy-, (3α,5β,12α)- (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.20260122 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS24637-46-5
- Purity/Analytical Methods: >99.0%
24637-46-5 / (4R)-4-[(3R,5R,8S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Basic Information
CAS
24637-46-5
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([C@H](C=C3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI
InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h13-19,21,25-26H,4-12H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,21+,23+,24-/m1/s1
InChIKey
XAGTZUQUSSNQAI-TYQXEKSRSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
108.62
TPSA
77.76
LogP / Solubility
WLOGP
4.4
MLOGP
3.89
XLogP3
4.2
Consensus LogP
4.16
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.33
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)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
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