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CAS 566-88-1 5ALPHA-CHOLESTAN-3-ONE molecular structure lightbox
CAS RN: 566-88-1

5ALPHA-CHOLESTAN-3-ONE

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251229 100mg Out of stock Inquiry
Batchno.20250211 1g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251019 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS566-88-1
  • Purity/Analytical Methods: >99.0%
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566-88-1 / 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

Standard CAS: 566-88-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
566-88-1
Multi CAS
Yes
Molecular Formula
C27H46O
Molecular Weight
386.700000
Exact Mass
386.354866
InChI
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3
InChIKey
PESKGJQREUXSRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.96
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
118.08
TPSA
17.07

LogP / Solubility

WLOGP
7.68
MLOGP
6.78
XLogP3
8.9
Consensus LogP
7.79
Log S (ESOL)
-6.74
Class (ESOL)
Insoluble
Log S (Ali)
-8.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.15
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)
0.37

Drug-likeness / Medicinal Chemistry

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

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