ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
TL;DR: ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate (CAS 339015-76-8) is a chemical compound with molecular formula C17H17ClN2O3 and molecular weight 332.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
Also Known As: ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate, 7L-703, ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate, ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-4,5-dihydropyridine-3-carboxylate
| Molecular Formula | C17H17ClN2O3 |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 3.01658 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.09277 |
| Heavy Atoms | 23 |
| Complexity | 688.78516 |
Chemical Identifiers
| CAS Number | 339015-76-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=O)CC1C2=CC=C(C=C2)Cl)CC#N)C |
Product Overview
ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate (CAS 339015-76-8), with molecular formula C17H17ClN2O3 and molecular weight 332.09 g/mol. IUPAC: ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
Chemical Property Profile of ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
Property Insights of ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
The XLogP value of 3.01658 indicates that ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate. Following Lipinski's Rule of Five, ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate 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 ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
The CAS number of ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is 339015-76-8.
What is the molecular formula of ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
The molecular formula of ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is C17H17ClN2O3.
What is the molecular weight of ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
The molecular weight of ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is 332.09 g/mol.
Where can I buy ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
You can request a quote for ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.