2-(3,4-Dimethylphenyl)-2-oxoethyl pyridine-4-carboxylate
TL;DR: 2-(3,4-Dimethylphenyl)-2-oxoethyl pyridine-4-carboxylate (CAS 313394-92-2) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dimethylphenyl)-2-oxoethyl] pyridine-4-carboxylate
Also Known As: 2-(3,4-dimethylphenyl)-2-oxoethyl isonicotinate, 2-(3,4-dimethylphenyl)-2-oxoethyl pyridine-4-carboxylate, [2-(3,4-dimethylphenyl)-2-oxoethyl] pyridine-4-carboxylate
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 2.73814 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 635.4252 |
Chemical Identifiers
| CAS Number | 313394-92-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=NC=C2)C |
Product Overview
2-(3,4-Dimethylphenyl)-2-oxoethyl pyridine-4-carboxylate (CAS 313394-92-2), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: [2-(3,4-dimethylphenyl)-2-oxoethyl] pyridine-4-carboxylate.
Chemical Property Profile of 2-(3,4-Dimethylphenyl)-2-oxoethyl pyridine-4-carboxylate
Property Insights of 2-(3,4-Dimethylphenyl)-2-oxoethyl pyridine-4-carboxylate
The XLogP value of 2.73814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dimethylphenyl)-2-oxoethyl pyridine-4-carboxylate. With a topological polar surface area (TPSA) of 56.26 Ų, 2-(3,4-Dimethylphenyl)-2-oxoethyl pyridine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-Dimethylphenyl)-2-oxoethyl pyridine-4-carboxylate 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 2-(3,4-Dimethylphenyl)-2-oxoethyl pyridine-4-carboxylate?
The CAS number of 2-(3,4-Dimethylphenyl)-2-oxoethyl pyridine-4-carboxylate is 313394-92-2.
What is the molecular formula of 2-(3,4-Dimethylphenyl)-2-oxoethyl pyridine-4-carboxylate?
The molecular formula of 2-(3,4-Dimethylphenyl)-2-oxoethyl pyridine-4-carboxylate is C16H15NO3.
What is the molecular weight of 2-(3,4-Dimethylphenyl)-2-oxoethyl pyridine-4-carboxylate?
The molecular weight of 2-(3,4-Dimethylphenyl)-2-oxoethyl pyridine-4-carboxylate is 269.11 g/mol.
Where can I buy 2-(3,4-Dimethylphenyl)-2-oxoethyl pyridine-4-carboxylate?
You can request a quote for 2-(3,4-Dimethylphenyl)-2-oxoethyl pyridine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dimethylphenyl)-2-oxoethyl pyridine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethylphenyl)-2-oxoethyl pyridine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.