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CAS 567-02-2 21-HYDROXYALLOPREGNANOLONE molecular structure lightbox
CAS RN: 567-02-2

21-HYDROXYALLOPREGNANOLONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251128 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS567-02-2
  • Purity/Analytical Methods: >99.0%
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567-02-2 / 2-hydroxy-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Standard CAS: 567-02-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
567-02-2
Multi CAS
Yes
Molecular Formula
C21H34O3
Molecular Weight
334.500000
Exact Mass
334.250795
InChI
InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1
InChIKey
CYKYBWRSLLXBOW-GDYGHMJCSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.95
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
93.32
TPSA
57.53

LogP / Solubility

WLOGP
3.57
MLOGP
3.16
XLogP3
4.2
Consensus LogP
3.64
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
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)
-2.23

Drug-likeness / Medicinal Chemistry

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

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