Ethyl 2-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate
TL;DR: Ethyl 2-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate (CAS 899956-88-8) is a chemical compound with molecular formula C14H13N3O4 and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
Also Known As: ethyl 2-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate, ethyl 2-(6-oxo-1,6-dihydropyridazine-3-amido)benzoate, ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate, F2799-0076
| Molecular Formula | C14H13N3O4 |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 1.1989 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.0906 |
| Heavy Atoms | 21 |
| Complexity | 703.6591 |
Chemical Identifiers
| CAS Number | 899956-88-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)C2=NNC(=O)C=C2 |
Product Overview
Ethyl 2-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate (CAS 899956-88-8), with molecular formula C14H13N3O4 and molecular weight 287.09 g/mol. IUPAC: ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate.
Chemical Property Profile of Ethyl 2-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate
Property Insights of Ethyl 2-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate
The XLogP value of 1.1989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate. Following Lipinski's Rule of Five, Ethyl 2-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate has 2 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 Ethyl 2-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate?
The CAS number of Ethyl 2-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate is 899956-88-8.
What is the molecular formula of Ethyl 2-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate?
The molecular formula of Ethyl 2-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate is C14H13N3O4.
What is the molecular weight of Ethyl 2-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate?
The molecular weight of Ethyl 2-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate is 287.09 g/mol.
Where can I buy Ethyl 2-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate?
You can request a quote for Ethyl 2-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.