![[4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate structure](/static/products/1782/178211-07-9.webp)
[4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate
TL;DR: [4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate (CAS 178211-07-9) is a chemical compound with molecular formula C12H7Cl3N2O3 and molecular weight 331.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5-dichloro-6-oxopyridazin-1-yl)methyl 2-chlorobenzoate
Also Known As: [4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate, (4,5-dichloro-6-oxopyridazin-1-yl)methyl 2-chlorobenzoate, (4,5-dichloro-6-oxo-1,6-dihydropyridazin-1-yl)methyl 2-chlorobenzoate, (4,5-dichloro-6-oxo-pyridazin-1-yl)methyl 2-chlorobenzoate, 2-chlorobenzoic acid (4,5-dichloro-6-oxo-1-pyridazinyl)methyl ester
| Molecular Formula | C12H7Cl3N2O3 |
|---|---|
| Molecular Weight | 331.95 g/mol |
| LogP | 3.018 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.95224 |
| Heavy Atoms | 20 |
| Complexity | 715.334 |
Chemical Identifiers
| CAS Number | 178211-07-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCN2C(=O)C(=C(C=N2)Cl)Cl)Cl |
Product Overview
[4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate (CAS 178211-07-9), with molecular formula C12H7Cl3N2O3 and molecular weight 331.95 g/mol. IUPAC: (4,5-dichloro-6-oxopyridazin-1-yl)methyl 2-chlorobenzoate.
Chemical Property Profile of [4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate
Property Insights of [4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate
The XLogP value of 3.018 indicates that [4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for [4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate. Following Lipinski's Rule of Five, [4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate 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 [4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate?
The CAS number of [4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate is 178211-07-9.
What is the molecular formula of [4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate?
The molecular formula of [4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate is C12H7Cl3N2O3.
What is the molecular weight of [4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate?
The molecular weight of [4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate is 331.95 g/mol.
Where can I buy [4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate?
You can request a quote for [4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for [4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 2-chlorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.