CAS RN: 566-35-8
11-ALPHA-HYDROCORTISONE
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS566-35-8
- Purity/Analytical Methods: >99.0%
566-35-8 / 11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Basic Information
CAS
566-35-8
Multi CAS
Yes
Molecular Formula
C21H30O5
Molecular Weight
362.500000
Exact Mass
362.209324
InChI
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3
InChIKey
JYGXADMDTFJGBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.81
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
95.14
TPSA
94.83
LogP / Solubility
WLOGP
1.78
MLOGP
1.59
XLogP3
1.6
Consensus LogP
1.66
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble
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
No
Log Kp (skin permeation)
-3.67
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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![CAS 566-76-7 1,3,5[10]-ESTRATRIENE-3,16ALPHA-DIOL-17-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/566-76-7.gif)
![CAS 566-97-2 (3S,5S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/566-97-2.gif)
