methyl 1-(4-chlorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
TL;DR: methyl 1-(4-chlorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate (CAS 338748-81-5) is a chemical compound with molecular formula C15H16ClNO3 and molecular weight 293.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[(4-chlorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
Also Known As: methyl 1-(4-chlorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate, 4M-934, Methyl 1-(4-chlorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, methyl 1-[(4-chlorophenyl)methyl]-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, methyl 1-[(4-chlorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
| Molecular Formula | C15H16ClNO3 |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | 2.9094 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.08188 |
| Heavy Atoms | 20 |
| Complexity | 562.98627 |
Chemical Identifiers
| CAS Number | 338748-81-5 |
|---|---|
| SMILES | CC1=C(CCC(=O)N1CC2=CC=C(C=C2)Cl)C(=O)OC |
Product Overview
methyl 1-(4-chlorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate (CAS 338748-81-5), with molecular formula C15H16ClNO3 and molecular weight 293.08 g/mol. IUPAC: methyl 1-[(4-chlorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
Chemical Property Profile of methyl 1-(4-chlorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
Property Insights of methyl 1-(4-chlorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
The XLogP value of 2.9094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-(4-chlorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate. With a topological polar surface area (TPSA) of 46.61 Ų, methyl 1-(4-chlorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-(4-chlorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate has 0 hydrogen bond donor(s) and 3 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 methyl 1-(4-chlorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
The CAS number of methyl 1-(4-chlorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is 338748-81-5.
What is the molecular formula of methyl 1-(4-chlorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
The molecular formula of methyl 1-(4-chlorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is C15H16ClNO3.
What is the molecular weight of methyl 1-(4-chlorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
The molecular weight of methyl 1-(4-chlorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is 293.08 g/mol.
Where can I buy methyl 1-(4-chlorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
You can request a quote for methyl 1-(4-chlorobenzyl)-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 methyl 1-(4-chlorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(4-chlorobenzyl)-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.