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CAS 301695-61-4 7,24-dihydroxy-(5 alpha, 7 alpha, 24R)-cholestan-3-one molecular structure lightbox
CAS RN: 301695-61-4

7,24-dihydroxy-(5 alpha, 7 alpha, 24R)-cholestan-3-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250626 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS301695-61-4
  • Purity/Analytical Methods: >99.0%
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301695-61-4 / (5S,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-17-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

Standard CAS: 301695-61-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
301695-61-4
Multi CAS
Yes
Molecular Formula
C27H46O3
Molecular Weight
418.700000
Exact Mass
418.344695
InChI
InChI=1S/C27H46O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18-,20-,21+,22+,23-,24-,25+,26+,27-/m1/s1
InChIKey
FGKQZAUZOBFLBY-GGBHDQTRSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.96
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
120.86
TPSA
57.53

LogP / Solubility

WLOGP
5.62
MLOGP
4.97
XLogP3
6.1
Consensus LogP
5.56
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.64
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8

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