CAS RN: 808-48-0
Desoxycorticosterone pivalate
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9 package records5 with current stock2 grade groups
- Product code: starshine_CAS808-48-0
- Purity/Analytical Methods: >99.0%
808-48-0 / [2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2-dimethylpropanoate
Basic Information
CAS
808-48-0
Multi CAS
Yes
Molecular Formula
C26H38O4
Molecular Weight
414.600000
Exact Mass
414.277010
InChI
InChI=1S/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3
InChIKey
VVOIQBFMTVCINR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.81
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
115.62
TPSA
60.44
LogP / Solubility
WLOGP
5.29
MLOGP
4.68
XLogP3
4.5
Consensus LogP
4.82
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.11
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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