Methyl 4-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate
TL;DR: Methyl 4-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate (CAS 899956-82-2) is a chemical compound with molecular formula C13H11N3O4 and molecular weight 273.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
Also Known As: methyl 4-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate, VU0499632-1, methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate, AB00681495-01, F2799-0043
| Molecular Formula | C13H11N3O4 |
|---|---|
| Molecular Weight | 273.07 g/mol |
| LogP | 0.8088 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.07495 |
| Heavy Atoms | 20 |
| Complexity | 671.0125 |
Chemical Identifiers
| CAS Number | 899956-82-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2=NNC(=O)C=C2 |
Product Overview
Methyl 4-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate (CAS 899956-82-2), with molecular formula C13H11N3O4 and molecular weight 273.07 g/mol. IUPAC: methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate.
Chemical Property Profile of Methyl 4-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate
Property Insights of Methyl 4-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate
The XLogP value of 0.8088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(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 Methyl 4-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate. Following Lipinski's Rule of Five, Methyl 4-(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 Methyl 4-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate?
The CAS number of Methyl 4-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate is 899956-82-2.
What is the molecular formula of Methyl 4-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate?
The molecular formula of Methyl 4-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate is C13H11N3O4.
What is the molecular weight of Methyl 4-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate?
The molecular weight of Methyl 4-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate is 273.07 g/mol.
Where can I buy Methyl 4-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate?
You can request a quote for Methyl 4-(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 Methyl 4-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(6-oxo-1,6-dihydropyridazine-3-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.