ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate
TL;DR: ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate (CAS 5249-70-7) is a chemical compound with molecular formula C22H21NO3 and molecular weight 347.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate
Also Known As: NCIOpen2_009371, ethyl (5Z)-5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine, ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate, ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-1,2,5,6-tetrahydropyridine-3-carboxylate
| Molecular Formula | C22H21NO3 |
|---|---|
| Molecular Weight | 347.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.15213 |
| Heavy Atoms | 26 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 5249-70-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC2=CC=CC=C2)C(=O)N(C1C3=CC=CC=C3)C |
| InChIKey | SJLMIOUFVLFDBN-UHFFFAOYSA-N |
Product Overview
ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate (CAS 5249-70-7), with molecular formula C22H21NO3 and molecular weight 347.15 g/mol. IUPAC: ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate.
Chemical Property Profile of ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate
Property Insights of ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate
The XLogP value of 3.8 indicates that ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-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 ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate?
The CAS number of ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate is 5249-70-7.
What is the molecular formula of ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate?
The molecular formula of ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate is C22H21NO3.
What is the molecular weight of ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate?
The molecular weight of ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate is 347.15 g/mol.
Where can I buy ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate?
You can request a quote for ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.