6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-chlorobenzenecarboxylate
TL;DR: 6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-chlorobenzenecarboxylate (CAS 478029-27-5) is a chemical compound with molecular formula C17H11ClN2O3 and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-oxo-1-phenylpyridazin-3-yl) 4-chlorobenzoate
Also Known As: 6-oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-chlorobenzenecarboxylate, (6-oxo-1-phenylpyridazin-3-yl) 4-chlorobenzoate, 6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl 4-chlorobenzoate, (6-oxo-1-phenyl-pyridazin-3-yl) 4-chlorobenzoate, 4-chlorobenzoic acid (6-oxo-1-phenyl-3-pyridazinyl) ester
| Molecular Formula | C17H11ClN2O3 |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 3.1051 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.0458 |
| Heavy Atoms | 23 |
| Complexity | 889.717 |
Chemical Identifiers
| CAS Number | 478029-27-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C=CC(=N2)OC(=O)C3=CC=C(C=C3)Cl |
Product Overview
6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-chlorobenzenecarboxylate (CAS 478029-27-5), with molecular formula C17H11ClN2O3 and molecular weight 326.05 g/mol. IUPAC: (6-oxo-1-phenylpyridazin-3-yl) 4-chlorobenzoate.
Chemical Property Profile of 6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-chlorobenzenecarboxylate
Property Insights of 6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-chlorobenzenecarboxylate
The XLogP value of 3.1051 indicates that 6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-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 6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-chlorobenzenecarboxylate. Following Lipinski's Rule of Five, 6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-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 6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-chlorobenzenecarboxylate?
The CAS number of 6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-chlorobenzenecarboxylate is 478029-27-5.
What is the molecular formula of 6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-chlorobenzenecarboxylate?
The molecular formula of 6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-chlorobenzenecarboxylate is C17H11ClN2O3.
What is the molecular weight of 6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-chlorobenzenecarboxylate?
The molecular weight of 6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-chlorobenzenecarboxylate is 326.05 g/mol.
Where can I buy 6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-chlorobenzenecarboxylate?
You can request a quote for 6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-chlorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-chlorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-chlorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.