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CAS 2265-22-7 dexamethasone 21-methanesulfonate molecular structure lightbox
CAS RN: 2265-22-7

dexamethasone 21-methanesulfonate

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250324 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2265-22-7
  • Purity/Analytical Methods: >99.0%
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2265-22-7 / [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methanesulfonate

Standard CAS: 2265-22-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2265-22-7
Multi CAS
No
Molecular Formula
C23H31FO7S
Molecular Weight
470.600000
Exact Mass
470.177453
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COS(=O)(=O)C)O)C)O)F)C
InChI
InChI=1S/C23H31FO7S/c1-13-9-17-16-6-5-14-10-15(25)7-8-20(14,2)22(16,24)18(26)11-21(17,3)23(13,28)19(27)12-31-32(4,29)30/h7-8,10,13,16-18,26,28H,5-6,9,11-12H2,1-4H3/t13-,16+,17+,18+,20+,21+,22+,23+/m1/s1
InChIKey
ATNWRUJPJUBMHC-HOGMHMTRSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.74
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
2
Molar refractivity
113.65
TPSA
117.97

LogP / Solubility

WLOGP
1.88
MLOGP
1.69
XLogP3
1.3
Consensus LogP
1.62
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly 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)
-4.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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