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CAS 2363-59-9 Boldenone 17-acetate molecular structure lightbox
CAS RN: 2363-59-9

Boldenone 17-acetate

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3 package records3 with current stock1 grade group
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  • Product code: starshine_CAS2363-59-9
  • Purity/Analytical Methods: >99.0%
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2363-59-9 / [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate

Standard CAS: 2363-59-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2363-59-9
Multi CAS
No
Molecular Formula
C21H28O3
Molecular Weight
328.400000
Exact Mass
328.203845
SMILES
CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C
InChI
InChI=1S/C21H28O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1
InChIKey
KPCDGGNHYODURF-PXQJOHHUSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
92.17
TPSA
43.37

LogP / Solubility

WLOGP
4.23
MLOGP
3.73
XLogP3
4.1
Consensus LogP
4.02
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
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)
-1.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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