2-(4-Methylphenyl)-2-oxo-1-phenylethyl isonicotinate
TL;DR: 2-(4-Methylphenyl)-2-oxo-1-phenylethyl isonicotinate (CAS 524043-73-0) is a chemical compound with molecular formula C21H17NO3 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
Also Known As: 2-(4-methylphenyl)-2-oxo-1-phenylethyl isonicotinate, 2-oxo-1-phenyl-2-(p-tolyl)ethyl isonicotinate, [2-(4-methylphenyl)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
| Molecular Formula | C21H17NO3 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 4.17102 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.12085 |
| Heavy Atoms | 25 |
| Complexity | 858.6626 |
Chemical Identifiers
| CAS Number | 524043-73-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=NC=C3 |
Product Overview
2-(4-Methylphenyl)-2-oxo-1-phenylethyl isonicotinate (CAS 524043-73-0), with molecular formula C21H17NO3 and molecular weight 331.12 g/mol. IUPAC: [2-(4-methylphenyl)-2-oxo-1-phenylethyl] pyridine-4-carboxylate.
Chemical Property Profile of 2-(4-Methylphenyl)-2-oxo-1-phenylethyl isonicotinate
Property Insights of 2-(4-Methylphenyl)-2-oxo-1-phenylethyl isonicotinate
The XLogP value of 4.17102 indicates that 2-(4-Methylphenyl)-2-oxo-1-phenylethyl isonicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 2-(4-Methylphenyl)-2-oxo-1-phenylethyl isonicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)-2-oxo-1-phenylethyl isonicotinate 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-(4-Methylphenyl)-2-oxo-1-phenylethyl isonicotinate?
The CAS number of 2-(4-Methylphenyl)-2-oxo-1-phenylethyl isonicotinate is 524043-73-0.
What is the molecular formula of 2-(4-Methylphenyl)-2-oxo-1-phenylethyl isonicotinate?
The molecular formula of 2-(4-Methylphenyl)-2-oxo-1-phenylethyl isonicotinate is C21H17NO3.
What is the molecular weight of 2-(4-Methylphenyl)-2-oxo-1-phenylethyl isonicotinate?
The molecular weight of 2-(4-Methylphenyl)-2-oxo-1-phenylethyl isonicotinate is 331.12 g/mol.
Where can I buy 2-(4-Methylphenyl)-2-oxo-1-phenylethyl isonicotinate?
You can request a quote for 2-(4-Methylphenyl)-2-oxo-1-phenylethyl isonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenyl)-2-oxo-1-phenylethyl isonicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)-2-oxo-1-phenylethyl isonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.