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CAS 906-83-2 ALLOPREGNANOLONE ACETATE molecular structure lightbox
CAS RN: 906-83-2

ALLOPREGNANOLONE ACETATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251009 25mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS906-83-2
  • Purity/Analytical Methods: >99.0%
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906-83-2 / [(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Standard CAS: 906-83-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
906-83-2
Multi CAS
Yes
Molecular Formula
C23H36O3
Molecular Weight
360.500000
Exact Mass
360.266445
InChI
InChI=1S/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21H,5-13H2,1-4H3/t16-,17-,18-,19+,20-,21-,22-,23+/m0/s1
InChIKey
GFHOQCXDABGYAL-POBGKJHXSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
101.45
TPSA
43.37

LogP / Solubility

WLOGP
5.17
MLOGP
4.57
XLogP3
5.4
Consensus LogP
5.05
Log S (ESOL)
-5.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.53
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)
-1.25

Drug-likeness / Medicinal Chemistry

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

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