Decarbonyl Rivaroxaban
TL;DR: Decarbonyl Rivaroxaban (CAS 721401-53-2) is a chemical compound with molecular formula C18H20ClN3O4S and molecular weight 409.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
Also Known As: Decarbonyl Rivaroxaban, Rivaroxaban Impurity G, Rivaroxaban Impurity 13, (R)-5-Chloro-N-(2-hydroxy-3-((4-(3-oxomorpholino)phenyl)amino)propyl)thiophene-2-carboxamide, Rivaroxaban Descarbonyl Impurity
| Molecular Formula | C18H20ClN3O4S |
|---|---|
| Molecular Weight | 409.09 g/mol |
| LogP | 1.9675 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.0863 |
| Heavy Atoms | 27 |
| Complexity | 796.15936 |
Chemical Identifiers
| CAS Number | 721401-53-2 |
|---|---|
| SMILES | C1COCC(=O)N1C2=CC=C(C=C2)NC[C@H](CNC(=O)C3=CC=C(S3)Cl)O |
Product Overview
Decarbonyl Rivaroxaban (CAS 721401-53-2), with molecular formula C18H20ClN3O4S and molecular weight 409.09 g/mol. IUPAC: 5-chloro-N-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide.
Chemical Property Profile of Decarbonyl Rivaroxaban
Property Insights of Decarbonyl Rivaroxaban
The XLogP value of 1.9675 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Decarbonyl Rivaroxaban. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Decarbonyl Rivaroxaban. Following Lipinski's Rule of Five, Decarbonyl Rivaroxaban has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decarbonyl Rivaroxaban?
The CAS number of Decarbonyl Rivaroxaban is 721401-53-2.
What is the molecular formula of Decarbonyl Rivaroxaban?
The molecular formula of Decarbonyl Rivaroxaban is C18H20ClN3O4S.
What is the molecular weight of Decarbonyl Rivaroxaban?
The molecular weight of Decarbonyl Rivaroxaban is 409.09 g/mol.
Where can I buy Decarbonyl Rivaroxaban?
You can request a quote for Decarbonyl Rivaroxaban directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decarbonyl Rivaroxaban?
Yes, KEHONG BIO provides custom synthesis services for Decarbonyl Rivaroxaban and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.