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CAS 974-23-2 16,17-Epoxypregnenolone molecular structure lightbox
CAS RN: 974-23-2

16,17-Epoxypregnenolone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250731 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS974-23-2
  • Purity/Analytical Methods: >99.0%
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974-23-2 / 1-[(1R,2S,4R,6S,7S,10S,11R,14S)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-6-yl]ethanone

Standard CAS: 974-23-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
974-23-2
Multi CAS
Yes
Molecular Formula
C21H30O3
Molecular Weight
330.500000
Exact Mass
330.219495
InChI
InChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1
InChIKey
UQVIXFCYKBWZPJ-XXHSLLPRSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
91.38
TPSA
49.83

LogP / Solubility

WLOGP
3.65
MLOGP
3.22
XLogP3
2.9
Consensus LogP
3.26
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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