ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate
TL;DR: ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate (CAS 313232-22-3) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate
Also Known As: ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate, ethyl 5-hydroxy-6-phenyl-3-pyridazinecarboxylate, ethyl 5-hydroxy-6-phenylpyridazine-3-carboxylate
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 313232-22-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C(=NN1)C2=CC=CC=C2 |
| InChIKey | GSAMTLKOPFKPGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate (CAS 313232-22-3), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate.
Chemical Property Profile of ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate
Property Insights of ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate. Following Lipinski's Rule of Five, ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate has 1 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 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate?
The CAS number of ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate is 313232-22-3.
What is the molecular formula of ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate?
The molecular formula of ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate is C13H12N2O3.
What is the molecular weight of ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate?
The molecular weight of ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate is 244.08 g/mol.
Where can I buy ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate?
You can request a quote for ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-oxo-3-phenyl-1H-pyridazine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.