3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester
TL;DR: 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester (CAS 104941-01-7) is a chemical compound with molecular formula C16H12ClNO4 and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-6-oxopyridine-3-carboxylate
Also Known As: 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester, 3-Pyridinecarboxylicacid, 1-[1-(4-chlorobenzoyl)ethenyl]-1,6-dihydro-6-oxo-, methyl ester, methyl 1-[1-(4-chlorobenzoyl)vinyl]-6-oxo-pyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 1-[1-(4-chlorobenzoyl)ethenyl]-1,6-dihydro-6-oxo-, methyl ester, Methyl 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-6-oxo-1,6-dihydropyridine-3-carboxylate
| Molecular Formula | C16H12ClNO4 |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 2.6419 |
| Topological Polar Surface Area | 65.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.04547 |
| Heavy Atoms | 22 |
| Complexity | 805.6407 |
Chemical Identifiers
| CAS Number | 104941-01-7 |
|---|---|
| SMILES | COC(=O)C1=CN(C(=O)C=C1)C(=C)C(=O)C2=CC=C(C=C2)Cl |
Product Overview
3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester (CAS 104941-01-7), with molecular formula C16H12ClNO4 and molecular weight 317.05 g/mol. IUPAC: methyl 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-6-oxopyridine-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester
Property Insights of 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester
The XLogP value of 2.6419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester. The TPSA of 65.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl 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 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester is 104941-01-7.
What is the molecular formula of 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester is C16H12ClNO4.
What is the molecular weight of 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester is 317.05 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 1-(1-(4-chlorobenzoyl)ethenyl)-1,6-dihydro-6-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.