2-(Methoxycarbonyl)phenyl isonicotinate
TL;DR: 2-(Methoxycarbonyl)phenyl isonicotinate (CAS 296276-38-5) is a chemical compound with molecular formula C14H11NO4 and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxycarbonylphenyl) pyridine-4-carboxylate
Also Known As: 2-(methoxycarbonyl)phenyl isonicotinate, (2-methoxycarbonylphenyl) pyridine-4-carboxylate, AE-848/32589058
| Molecular Formula | C14H11NO4 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.06882 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 296276-38-5 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1OC(=O)C2=CC=NC=C2 |
| InChIKey | DDVODGUCUUFDEO-UHFFFAOYSA-N |
Product Overview
2-(Methoxycarbonyl)phenyl isonicotinate (CAS 296276-38-5), with molecular formula C14H11NO4 and molecular weight 257.07 g/mol. IUPAC: (2-methoxycarbonylphenyl) pyridine-4-carboxylate.
Chemical Property Profile of 2-(Methoxycarbonyl)phenyl isonicotinate
Property Insights of 2-(Methoxycarbonyl)phenyl isonicotinate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methoxycarbonyl)phenyl isonicotinate. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methoxycarbonyl)phenyl isonicotinate. Following Lipinski's Rule of Five, 2-(Methoxycarbonyl)phenyl isonicotinate has 0 hydrogen bond donor(s) and 5 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-(Methoxycarbonyl)phenyl isonicotinate?
The CAS number of 2-(Methoxycarbonyl)phenyl isonicotinate is 296276-38-5.
What is the molecular formula of 2-(Methoxycarbonyl)phenyl isonicotinate?
The molecular formula of 2-(Methoxycarbonyl)phenyl isonicotinate is C14H11NO4.
What is the molecular weight of 2-(Methoxycarbonyl)phenyl isonicotinate?
The molecular weight of 2-(Methoxycarbonyl)phenyl isonicotinate is 257.07 g/mol.
Where can I buy 2-(Methoxycarbonyl)phenyl isonicotinate?
You can request a quote for 2-(Methoxycarbonyl)phenyl isonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methoxycarbonyl)phenyl isonicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methoxycarbonyl)phenyl isonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.