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CAS 4185-01-7 12-ALPHA-HYDROXY-3-OXO-5-BETA-CHOLANOICACID molecular structure lightbox
CAS RN: 4185-01-7

12-ALPHA-HYDROXY-3-OXO-5-BETA-CHOLANOICACID

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250309 10mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250819 250mg In stock Shanghai, Shandong Inquiry
Batchno.20250104 50mg In stock Shanghai, Hebei Inquiry
  • Product code: starshine_CAS4185-01-7
  • Purity/Analytical Methods: >99.0%
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4185-01-7 / (4R)-4-[(5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

Standard CAS: 4185-01-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4185-01-7
Multi CAS
Yes
Molecular Formula
C24H38O4
Molecular Weight
390.600000
Exact Mass
390.277010
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/h14-15,17-21,26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKey
WMUMZOAFCDOTRW-OVEHVULHSA-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
4.5
Consensus LogP
4.45
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

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