Methyl 1-benzyl-1,6-dihydro-6-oxopyridine-3-carboxylate
TL;DR: Methyl 1-benzyl-1,6-dihydro-6-oxopyridine-3-carboxylate (CAS 77837-11-7) is a chemical compound with molecular formula C14H13NO3 and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-benzyl-6-oxopyridine-3-carboxylate
Also Known As: Methyl 1-benzyl-1,6-dihydro-6-oxopyridine-3-carboxylate, methyl 1-benzyl-6-oxopyridine-3-carboxylate, 7E-316S, methyl 1-benzyl-6-oxo-1,6-dihydropyridine-3-carboxylate, methyl 1-benzyl-6-oxo-pyridine-3-carboxylate
| Molecular Formula | C14H13NO3 |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 1.6832 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.08954 |
| Heavy Atoms | 18 |
| Complexity | 601.9362 |
Chemical Identifiers
| CAS Number | 77837-11-7 |
|---|---|
| SMILES | COC(=O)C1=CN(C(=O)C=C1)CC2=CC=CC=C2 |
Product Overview
Methyl 1-benzyl-1,6-dihydro-6-oxopyridine-3-carboxylate (CAS 77837-11-7), with molecular formula C14H13NO3 and molecular weight 243.09 g/mol. IUPAC: methyl 1-benzyl-6-oxopyridine-3-carboxylate.
Chemical Property Profile of Methyl 1-benzyl-1,6-dihydro-6-oxopyridine-3-carboxylate
Property Insights of Methyl 1-benzyl-1,6-dihydro-6-oxopyridine-3-carboxylate
The XLogP value of 1.6832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-benzyl-1,6-dihydro-6-oxopyridine-3-carboxylate. With a topological polar surface area (TPSA) of 48.3 Ų, Methyl 1-benzyl-1,6-dihydro-6-oxopyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-benzyl-1,6-dihydro-6-oxopyridine-3-carboxylate 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-benzyl-1,6-dihydro-6-oxopyridine-3-carboxylate?
The CAS number of Methyl 1-benzyl-1,6-dihydro-6-oxopyridine-3-carboxylate is 77837-11-7.
What is the molecular formula of Methyl 1-benzyl-1,6-dihydro-6-oxopyridine-3-carboxylate?
The molecular formula of Methyl 1-benzyl-1,6-dihydro-6-oxopyridine-3-carboxylate is C14H13NO3.
What is the molecular weight of Methyl 1-benzyl-1,6-dihydro-6-oxopyridine-3-carboxylate?
The molecular weight of Methyl 1-benzyl-1,6-dihydro-6-oxopyridine-3-carboxylate is 243.09 g/mol.
Where can I buy Methyl 1-benzyl-1,6-dihydro-6-oxopyridine-3-carboxylate?
You can request a quote for Methyl 1-benzyl-1,6-dihydro-6-oxopyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-benzyl-1,6-dihydro-6-oxopyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-benzyl-1,6-dihydro-6-oxopyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.