2-(5-Carboxy-2-ethyl-3-oxopentyl)-6-(4-chlorophenyl)-4,5-DI-H-3(2H)-pyridazinone
TL;DR: 2-(5-Carboxy-2-ethyl-3-oxopentyl)-6-(4-chlorophenyl)-4,5-DI-H-3(2H)-pyridazinone (CAS 196601-48-6) is a chemical compound with molecular formula C18H21ClN2O4 and molecular weight 364.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]-4-oxoheptanoic acid
Also Known As: 2-(5-CARBOXY-2-ETHYL-3-OXOPENTYL)-6-(4-CHLOROPHENYL)-4,5-DI-H-3(2H)-PYRIDAZINONE, 5-[[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]-4-oxoheptanoic acid
| Molecular Formula | C18H21ClN2O4 |
|---|---|
| Molecular Weight | 364.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.119 |
| Heavy Atoms | 25 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 196601-48-6 |
|---|---|
| SMILES | CCC(CN1C(=O)CCC(=N1)C2=CC=C(C=C2)Cl)C(=O)CCC(=O)O |
| InChIKey | PCOFTXHXJFZHEC-UHFFFAOYSA-N |
Product Overview
2-(5-Carboxy-2-ethyl-3-oxopentyl)-6-(4-chlorophenyl)-4,5-DI-H-3(2H)-pyridazinone (CAS 196601-48-6), with molecular formula C18H21ClN2O4 and molecular weight 364.12 g/mol. IUPAC: 5-[[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]-4-oxoheptanoic acid.
Chemical Property Profile of 2-(5-Carboxy-2-ethyl-3-oxopentyl)-6-(4-chlorophenyl)-4,5-DI-H-3(2H)-pyridazinone
Property Insights of 2-(5-Carboxy-2-ethyl-3-oxopentyl)-6-(4-chlorophenyl)-4,5-DI-H-3(2H)-pyridazinone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Carboxy-2-ethyl-3-oxopentyl)-6-(4-chlorophenyl)-4,5-DI-H-3(2H)-pyridazinone. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Carboxy-2-ethyl-3-oxopentyl)-6-(4-chlorophenyl)-4,5-DI-H-3(2H)-pyridazinone. Following Lipinski's Rule of Five, 2-(5-Carboxy-2-ethyl-3-oxopentyl)-6-(4-chlorophenyl)-4,5-DI-H-3(2H)-pyridazinone 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 2-(5-Carboxy-2-ethyl-3-oxopentyl)-6-(4-chlorophenyl)-4,5-DI-H-3(2H)-pyridazinone?
The CAS number of 2-(5-Carboxy-2-ethyl-3-oxopentyl)-6-(4-chlorophenyl)-4,5-DI-H-3(2H)-pyridazinone is 196601-48-6.
What is the molecular formula of 2-(5-Carboxy-2-ethyl-3-oxopentyl)-6-(4-chlorophenyl)-4,5-DI-H-3(2H)-pyridazinone?
The molecular formula of 2-(5-Carboxy-2-ethyl-3-oxopentyl)-6-(4-chlorophenyl)-4,5-DI-H-3(2H)-pyridazinone is C18H21ClN2O4.
What is the molecular weight of 2-(5-Carboxy-2-ethyl-3-oxopentyl)-6-(4-chlorophenyl)-4,5-DI-H-3(2H)-pyridazinone?
The molecular weight of 2-(5-Carboxy-2-ethyl-3-oxopentyl)-6-(4-chlorophenyl)-4,5-DI-H-3(2H)-pyridazinone is 364.12 g/mol.
Where can I buy 2-(5-Carboxy-2-ethyl-3-oxopentyl)-6-(4-chlorophenyl)-4,5-DI-H-3(2H)-pyridazinone?
You can request a quote for 2-(5-Carboxy-2-ethyl-3-oxopentyl)-6-(4-chlorophenyl)-4,5-DI-H-3(2H)-pyridazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Carboxy-2-ethyl-3-oxopentyl)-6-(4-chlorophenyl)-4,5-DI-H-3(2H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Carboxy-2-ethyl-3-oxopentyl)-6-(4-chlorophenyl)-4,5-DI-H-3(2H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.