CAS RN: 936232-22-3

Rivaroxaban Impurity 12

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Batchno.20260404 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS936232-22-3
  • Purity/Analytical Methods: >99.0%
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936232-22-3 / 5-chloro-N-[[(5S)-3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

Standard CAS: 936232-22-3 Multi CAS: No

Basic Information

CAS
936232-22-3
Multi CAS
No
Molecular Formula
C17H18CLN3O4S
Molecular Weight
395.900000
Exact Mass
395.070655
InChI
InChI=1S/C17H18ClN3O4S/c18-15-6-5-14(26-15)16(23)20-9-13-10-21(17(24)25-13)12-3-1-11(2-4-12)19-7-8-22/h1-6,13,19,22H,7-10H2,(H,20,23)/t13-/m0/s1
InChIKey
SHYGJDDTGJVQSP-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
101.29
TPSA
90.9

LogP / Solubility

WLOGP
2.56
MLOGP
2.28
XLogP3
2.8
Consensus LogP
2.55
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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