Oxapyrazon
TL;DR: Oxapyrazon (CAS 4489-31-0) is a chemical compound with molecular formula C12H8BrN3O4 and molecular weight 336.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-bromo-6-oxo-1-phenylpyridazin-4-yl)amino]-2-oxoacetic acid
Also Known As: Oxapyrazon, Oxapyrazon [ISO], carbamoylformicacid, 2-[(5-bromo-6-oxo-1-phenylpyridazin-4-yl)amino]-2-oxoacetic acid, Oxamic acid, (5-bromo-1,6-dihydro-6-oxo-1-phenyl-4-pyridazinyl)-
| Molecular Formula | C12H8BrN3O4 |
|---|---|
| Molecular Weight | 336.97 g/mol |
| LogP | 1.0181 |
| Topological Polar Surface Area | 101.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.96982 |
| Heavy Atoms | 20 |
| Complexity | 727.2275 |
Chemical Identifiers
| CAS Number | 4489-31-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)NC(=O)C(=O)O)Br |
Product Overview
Oxapyrazon (CAS 4489-31-0), with molecular formula C12H8BrN3O4 and molecular weight 336.97 g/mol. IUPAC: 2-[(5-bromo-6-oxo-1-phenylpyridazin-4-yl)amino]-2-oxoacetic acid.
Chemical Property Profile of Oxapyrazon
Property Insights of Oxapyrazon
The XLogP value of 1.0181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxapyrazon. The TPSA of 101.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxapyrazon. Following Lipinski's Rule of Five, Oxapyrazon has 2 hydrogen bond donor(s) and 4 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 Oxapyrazon?
The CAS number of Oxapyrazon is 4489-31-0.
What is the molecular formula of Oxapyrazon?
The molecular formula of Oxapyrazon is C12H8BrN3O4.
What is the molecular weight of Oxapyrazon?
The molecular weight of Oxapyrazon is 336.97 g/mol.
Where can I buy Oxapyrazon?
You can request a quote for Oxapyrazon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxapyrazon?
Yes, KEHONG BIO provides custom synthesis services for Oxapyrazon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.