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CAS 1807455-76-0 Rivaroxaban Impurity H molecular structure lightbox
CAS RN: 1807455-76-0

Rivaroxaban Impurity H

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250115 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1807455-76-0
  • Purity/Analytical Methods: >99.0%
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1807455-76-0 / 5-chloro-N-[[(5S)-3-[4-[(5-chlorothiophene-2-carbonyl)-[2-[2-(methylamino)-2-oxoethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

Standard CAS: 1807455-76-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1807455-76-0
Multi CAS
No
Molecular Formula
C25H24Cl2N4O6S2
Molecular Weight
611.500000
Exact Mass
610.051432
SMILES
CNC(=O)COCCN(C1=CC=C(C=C1)N2C[C@@H](OC2=O)CNC(=O)C3=CC=C(S3)Cl)C(=O)C4=CC=C(S4)Cl
InChI
InChI=1S/C25H24Cl2N4O6S2/c1-28-22(32)14-36-11-10-30(24(34)19-7-9-21(27)39-19)15-2-4-16(5-3-15)31-13-17(37-25(31)35)12-29-23(33)18-6-8-20(26)38-18/h2-9,17H,10-14H2,1H3,(H,28,32)(H,29,33)/t17-/m0/s1
InChIKey
CMEMJJHGXGOKPN-KRWDZBQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
16
Fraction Csp3
0.28
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
2
Molar refractivity
151.61
TPSA
117.28

LogP / Solubility

WLOGP
4.28
MLOGP
3.82
XLogP3
4.7
Consensus LogP
4.27
Log S (ESOL)
-5.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.51
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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