Ethyl 4-(5-chloro-3-methyl-6-oxo-1(6H)-pyridazinyl)benzoate
TL;DR: Ethyl 4-(5-chloro-3-methyl-6-oxo-1(6H)-pyridazinyl)benzoate (CAS 6957-60-4) is a chemical compound with molecular formula C14H13ClN2O3 and molecular weight 292.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(5-chloro-3-methyl-6-oxopyridazin-1-yl)benzoate
Also Known As: Ethyl 4-(5-chloro-3-methyl-6-oxo-1(6H)-pyridazinyl)benzoate, Ethyl 4-(5-chloro-3-methyl-6-oxopyridazin-1(6H)-yl)benzoate, ethyl 4-(5-chloro-3-methyl-6-oxopyridazin-1-yl)benzoate, ethyl 4-(5-chloro-3-methyl-6-oxo-pyridazin-1-yl)benzoate, BENZOIC ACID, 4-(5-CHLORO-3-METHYL-6-OXO-1(6H)-PYRIDAZINYL)-, ETHYL ESTER
| Molecular Formula | C14H13ClN2O3 |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.06146 |
| Heavy Atoms | 20 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 6957-60-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC(=N2)C)Cl |
| InChIKey | QWDZRTLCZOOFMS-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(5-chloro-3-methyl-6-oxo-1(6H)-pyridazinyl)benzoate (CAS 6957-60-4), with molecular formula C14H13ClN2O3 and molecular weight 292.06 g/mol. IUPAC: ethyl 4-(5-chloro-3-methyl-6-oxopyridazin-1-yl)benzoate.
Chemical Property Profile of Ethyl 4-(5-chloro-3-methyl-6-oxo-1(6H)-pyridazinyl)benzoate
Property Insights of Ethyl 4-(5-chloro-3-methyl-6-oxo-1(6H)-pyridazinyl)benzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(5-chloro-3-methyl-6-oxo-1(6H)-pyridazinyl)benzoate. With a topological polar surface area (TPSA) of 59.0 Ų, Ethyl 4-(5-chloro-3-methyl-6-oxo-1(6H)-pyridazinyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(5-chloro-3-methyl-6-oxo-1(6H)-pyridazinyl)benzoate has 0 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 Ethyl 4-(5-chloro-3-methyl-6-oxo-1(6H)-pyridazinyl)benzoate?
The CAS number of Ethyl 4-(5-chloro-3-methyl-6-oxo-1(6H)-pyridazinyl)benzoate is 6957-60-4.
What is the molecular formula of Ethyl 4-(5-chloro-3-methyl-6-oxo-1(6H)-pyridazinyl)benzoate?
The molecular formula of Ethyl 4-(5-chloro-3-methyl-6-oxo-1(6H)-pyridazinyl)benzoate is C14H13ClN2O3.
What is the molecular weight of Ethyl 4-(5-chloro-3-methyl-6-oxo-1(6H)-pyridazinyl)benzoate?
The molecular weight of Ethyl 4-(5-chloro-3-methyl-6-oxo-1(6H)-pyridazinyl)benzoate is 292.06 g/mol.
Where can I buy Ethyl 4-(5-chloro-3-methyl-6-oxo-1(6H)-pyridazinyl)benzoate?
You can request a quote for Ethyl 4-(5-chloro-3-methyl-6-oxo-1(6H)-pyridazinyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(5-chloro-3-methyl-6-oxo-1(6H)-pyridazinyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(5-chloro-3-methyl-6-oxo-1(6H)-pyridazinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.