Isonicotinic acid, 2-phenylethyl ester
TL;DR: Isonicotinic acid, 2-phenylethyl ester (CAS 71653-45-7) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl pyridine-4-carboxylate
Also Known As: Isonicotinic acid, 2-phenylethyl ester, phenethyl pyridine-4-carboxylate, 4-Pyridinecarboxylic acid, 2-phenylethyl ester
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 71653-45-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOC(=O)C2=CC=NC=C2 |
| InChIKey | TWVFPHQINDOCCO-UHFFFAOYSA-N |
Product Overview
Isonicotinic acid, 2-phenylethyl ester (CAS 71653-45-7), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: 2-phenylethyl pyridine-4-carboxylate.
Chemical Property Profile of Isonicotinic acid, 2-phenylethyl ester
Property Insights of Isonicotinic acid, 2-phenylethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isonicotinic acid, 2-phenylethyl ester. With a topological polar surface area (TPSA) of 39.2 Ų, Isonicotinic acid, 2-phenylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonicotinic acid, 2-phenylethyl ester 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 Isonicotinic acid, 2-phenylethyl ester?
The CAS number of Isonicotinic acid, 2-phenylethyl ester is 71653-45-7.
What is the molecular formula of Isonicotinic acid, 2-phenylethyl ester?
The molecular formula of Isonicotinic acid, 2-phenylethyl ester is C14H13NO2.
What is the molecular weight of Isonicotinic acid, 2-phenylethyl ester?
The molecular weight of Isonicotinic acid, 2-phenylethyl ester is 227.09 g/mol.
Where can I buy Isonicotinic acid, 2-phenylethyl ester?
You can request a quote for Isonicotinic acid, 2-phenylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonicotinic acid, 2-phenylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Isonicotinic acid, 2-phenylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.