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CAS 24160-36-9 3β-Hydroxylanosta-8,24-dien-21-oic acid molecular structure lightbox
CAS RN: 24160-36-9

3β-Hydroxylanosta-8,24-dien-21-oic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260503 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS24160-36-9
  • Purity/Analytical Methods: >99.0%
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24160-36-9 / 2-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylhept-5-enoic acid

Standard CAS: 24160-36-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
24160-36-9
Multi CAS
No
Molecular Formula
C30H48O3
Molecular Weight
456.700000
Exact Mass
456.360345
SMILES
CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)C(=O)O)C
InChI
InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24+,25+,28-,29-,30+/m1/s1
InChIKey
NBSBUIQBEPROBM-GIICLEHTSA-N

Physical Properties

Melting Point
198 - 201 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
134.84
TPSA
57.53

LogP / Solubility

WLOGP
7.54
MLOGP
6.67
XLogP3
7.5
Consensus LogP
7.24
Log S (ESOL)
-7.09
Class (ESOL)
Insoluble
Log S (Ali)
-8.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.49
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)
-0.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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