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CAS 67733-54-4 (5β,6α)-6-Hydroxy-3-oxo-cholan-24-oic Acid molecular structure lightbox
CAS RN: 67733-54-4

(5β,6α)-6-Hydroxy-3-oxo-cholan-24-oic Acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260118 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS67733-54-4
  • Purity/Analytical Methods: >99.0%
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67733-54-4 / (4R)-4-[(5R,6S,8S,9S,10R,13R,14S,17R)-6-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: 67733-54-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67733-54-4
Multi CAS
Yes
Molecular Formula
C24H38O4
Molecular Weight
390.600000
Exact Mass
390.277010
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/h14,16-21,26H,4-13H2,1-3H3,(H,27,28)/t14-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1
InChIKey
IJKCGHHONSZERK-MOSSOHAFSA-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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