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CAS 50-23-7 Hydrocortisone molecular structure lightbox
CAS RN: 50-23-7

Hydrocortisone

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5 package records5 with current stock2 grade groups
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Batchno.20250514 100g In stock Inquiry
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  • Product code: ICTH0533
  • Purity/Analytical Methods: >98.0%(HPLC)
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50-23-7 / 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

Standard CAS: 50-23-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50-23-7
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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