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CAS 3800-86-0 Dexamethasone hemisuccinate molecular structure lightbox
CAS RN: 3800-86-0

Dexamethasone hemisuccinate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250409 100mg Out of stock 15 business days Inquiry
  • Product code: LIND929577
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3800-86-0 / 4-[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-oxoethoxy]-4-oxobutanoic acid

Standard CAS: 3800-86-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3800-86-0
Multi CAS
Yes
Molecular Formula
C26FH33O8
Molecular Weight
492.500000
Exact Mass
492.215946
InChI
InChI=1S/C26H33FO8/c1-14-10-18-17-5-4-15-11-16(28)8-9-23(15,2)25(17,27)19(29)12-24(18,3)26(14,34)20(30)13-35-22(33)7-6-21(31)32/h8-9,11,14,17-19,29,34H,4-7,10,12-13H2,1-3H3,(H,31,32)/t14-,17+,18+,19+,23+,24+,25+,26+/m1/s1
InChIKey
IEKLVCVEJCEIJD-LYRWTKHRSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.69
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
3
Molar refractivity
120.69
TPSA
138.2

LogP / Solubility

WLOGP
2.31
MLOGP
2.07
XLogP3
2
Consensus LogP
2.13
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
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)
-4.08

Drug-likeness / Medicinal Chemistry

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

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