Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester
TL;DR: Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester (CAS 89593-76-0) is a chemical compound with molecular formula C13H10Cl2N2O3 and molecular weight 312.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate
Also Known As: Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester, Ethyl 4-(4,5-dichloro-6-oxopyridazin-1(6H)-yl)benzoate, ethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate, Ethyl 4-[4,5-Dichloro-6-oxopyridazin-1(6H)-yl]benzoate, ethyl 4-(4,5-dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoate
| Molecular Formula | C13H10Cl2N2O3 |
|---|---|
| Molecular Weight | 312.01 g/mol |
| LogP | 2.716 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.00684 |
| Heavy Atoms | 20 |
| Complexity | 695.75275 |
Chemical Identifiers
| CAS Number | 89593-76-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)Cl |
Product Overview
Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester (CAS 89593-76-0), with molecular formula C13H10Cl2N2O3 and molecular weight 312.01 g/mol. IUPAC: ethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate.
Chemical Property Profile of Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester
Property Insights of Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester
The XLogP value of 2.716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester 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 Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester?
The CAS number of Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester is 89593-76-0.
What is the molecular formula of Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester?
The molecular formula of Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester is C13H10Cl2N2O3.
What is the molecular weight of Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester?
The molecular weight of Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester is 312.01 g/mol.
Where can I buy Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester?
You can request a quote for Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.