CAS RN: 316371-84-3
ROSIGLITAZONEPOTASSIUMSALT
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS316371-84-3
- Purity/Analytical Methods: >99.0%
316371-84-3 / potassium 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione
Basic Information
CAS
316371-84-3
Multi CAS
Yes
Molecular Formula
C18H18KN3O3S
Molecular Weight
395.500000
Exact Mass
395.070594
InChI
InChI=1S/C18H19N3O3S.K/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15;/h2-9,15H,10-12H2,1H3,(H,20,22,23);/q;+1/p-1
InChIKey
RWOGCLSZSSKLEN-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
98.29
TPSA
73.6
LogP / Solubility
WLOGP
0.28
MLOGP
0.27
XLogP3
0.28
Consensus LogP
0.28
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.93
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
3
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- Product Code: starshine_CAS316810-81-8
- Purity/Analytical method: >99.0%
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