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CAS 2921-57-5 Methylprednisolone hemisuccinate molecular structure lightbox
CAS RN: 2921-57-5

Methylprednisolone hemisuccinate

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5 package records4 with current stock1 grade group
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Batchno.20250604 100mg Out of stock Inquiry
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  • Product code: starshine_CAS2921-57-5
  • Purity/Analytical Methods: >99.0%
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2921-57-5 / 4-[2-(11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-4-oxobutanoic acid

Standard CAS: 2921-57-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2921-57-5
Multi CAS
Yes
Molecular Formula
C26H34O8
Molecular Weight
474.500000
Exact Mass
474.225368
InChI
InChI=1S/C26H34O8/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31)
InChIKey
IMBXEJJVJRTNOW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.69
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
3
Molar refractivity
120.34
TPSA
138.2

LogP / Solubility

WLOGP
2.22
MLOGP
1.99
XLogP3
2.2
Consensus LogP
2.14
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

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