Warfarin acetate
TL;DR: Warfarin acetate (CAS 5979-00-0) is a chemical compound with molecular formula C21H18O5 and molecular weight 350.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-yl] acetate
Also Known As: Warfarin acetate, 4-Acetoxy-3-(3-oxo-1-phenylbutyl)coumarin, [2-oxo-3-(3-oxo-1-phenyl-butyl)chromen-4-yl] acetate, 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-chromen-4-yl acetate, 4-acetoxy-3-(3-oxo-1-phenyl-butyl)-coumarin
| Molecular Formula | C21H18O5 |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.11542 |
| Heavy Atoms | 26 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 5979-00-0 |
|---|---|
| SMILES | CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)OC(=O)C |
| InChIKey | AZJMOTKZYSVMRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Warfarin acetate (CAS 5979-00-0), with molecular formula C21H18O5 and molecular weight 350.12 g/mol. IUPAC: [2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-yl] acetate.
Chemical Property Profile of Warfarin acetate
Property Insights of Warfarin acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Warfarin acetate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Warfarin acetate. Following Lipinski's Rule of Five, Warfarin acetate has 0 hydrogen bond donor(s) and 5 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 Warfarin acetate?
The CAS number of Warfarin acetate is 5979-00-0.
What is the molecular formula of Warfarin acetate?
The molecular formula of Warfarin acetate is C21H18O5.
What is the molecular weight of Warfarin acetate?
The molecular weight of Warfarin acetate is 350.12 g/mol.
Where can I buy Warfarin acetate?
You can request a quote for Warfarin acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Warfarin acetate?
Yes, KEHONG BIO provides custom synthesis services for Warfarin acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.