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CAS 63-00-3 6A-HYDROXY-ANDROST-4-ENE-3,17-DIONE molecular structure lightbox
CAS RN: 63-00-3

6A-HYDROXY-ANDROST-4-ENE-3,17-DIONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260411 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS63-00-3
  • Purity/Analytical Methods: >99.0%
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63-00-3 / (6R,8R,9S,10R,13S,14S)-6-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Standard CAS: 63-00-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63-00-3
Multi CAS
Yes
Molecular Formula
C19H26O3
Molecular Weight
302.400000
Exact Mass
302.188195
InChI
InChI=1S/C19H26O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16,21H,3-8,10H2,1-2H3/t12-,13-,14-,16+,18+,19-/m0/s1
InChIKey
WVAMBAWFDOYFOD-DQXCSHPPSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.79
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.11
TPSA
54.37

LogP / Solubility

WLOGP
3.06
MLOGP
2.7
XLogP3
1.5
Consensus LogP
2.42
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
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)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6

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