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CAS 80-92-2 5β-Pregnane-3α,20α-diol molecular structure lightbox
CAS RN: 80-92-2

5β-Pregnane-3α,20α-diol

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260601 25mg / 100mg / 500mg Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260115 100mg Out of stock Inquiry
Batchno.20250410 250mg Out of stock Inquiry
Batchno.20250322 25mg Out of stock Inquiry
  • Product code: ICTP0678
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80-92-2 / 17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Standard CAS: 80-92-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80-92-2
Multi CAS
Yes
Molecular Formula
C21H36O2
Molecular Weight
320.500000
Exact Mass
320.271530
InChI
InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3
InChIKey
YWYQTGBBEZQBGO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
92.9
TPSA
40.46

LogP / Solubility

WLOGP
4.39
MLOGP
3.88
XLogP3
5.2
Consensus LogP
4.49
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

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

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