CAS RN: 57524-89-7
CORTISOL 17-VALERATE
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS57524-89-7
- Purity/Analytical Methods: >99.0%
57524-89-7 / [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate
Basic Information
CAS
57524-89-7
Multi CAS
Yes
Molecular Formula
C26H38O6
Molecular Weight
446.600000
Exact Mass
446.266839
InChI
InChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1
InChIKey
FZCHYNWYXKICIO-FZNHGJLXSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
0.81
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
118.54
TPSA
100.9
LogP / Solubility
WLOGP
3.52
MLOGP
3.13
XLogP3
3.6
Consensus LogP
3.42
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.21
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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