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CAS 27460-33-9 Chol-5-en-24-al-3β-ol molecular structure lightbox
CAS RN: 27460-33-9

Chol-5-en-24-al-3β-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251117 5mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS27460-33-9
  • Purity/Analytical Methods: >99.0%
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27460-33-9 / (4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanal

Standard CAS: 27460-33-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27460-33-9
Multi CAS
No
Molecular Formula
C24H38O2
Molecular Weight
358.600000
Exact Mass
358.287180
SMILES
C[C@H](CCC=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C24H38O2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h6,14,16,18-22,26H,4-5,7-13,15H2,1-3H3/t16-,18+,19+,20-,21+,22+,23+,24-/m1/s1
InChIKey
GKTDPIQLKVFPBU-OLSVQSNTSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
105.66
TPSA
37.3

LogP / Solubility

WLOGP
5.54
MLOGP
4.9
XLogP3
5.6
Consensus LogP
5.35
Log S (ESOL)
-5.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.07
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)
-0.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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