CAS RN: 438-22-2

5-ALPHA-ANDROSTANE

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  • Product code: starshine_CAS438-22-2
  • Purity/Analytical Methods: >99.0%
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438-22-2 / (5R,8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

Standard CAS: 438-22-2 Multi CAS: Yes

Basic Information

CAS
438-22-2
Multi CAS
Yes
Molecular Formula
C19H32
Molecular Weight
260.500000
Exact Mass
260.250401
InChI
InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14-,15+,16+,17+,18+,19+/m1/s1
InChIKey
QZLYKIGBANMMBK-UGCZWRCOSA-N

Physical Properties

Physical Description
Solid; [Merck Index]
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
Molar refractivity
80.96
TPSA
0.0000

LogP / Solubility

WLOGP
5.81
MLOGP
5.12
XLogP3
7.6
Consensus LogP
6.18
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.17
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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