Nicotinic acid, 3-methylphenyl ester
TL;DR: Nicotinic acid, 3-methylphenyl ester (CAS 3468-50-6) is a chemical compound with molecular formula C13H11NO2 and molecular weight 213.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl) pyridine-3-carboxylate
Also Known As: m-tolyl nicotinate, 3-methylphenyl nicotinate, Nicotinic acid, 3-methylphenyl ester, (3-methylphenyl) pyridine-3-carboxylate, 3-METHYLPHENYL PYRIDINE-3-CARBOXYLATE
| Molecular Formula | C13H11NO2 |
|---|---|
| Molecular Weight | 213.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.07898 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 3468-50-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)C2=CN=CC=C2 |
| InChIKey | BUSZXQBIIPQKMP-UHFFFAOYSA-N |
Product Overview
Nicotinic acid, 3-methylphenyl ester (CAS 3468-50-6), with molecular formula C13H11NO2 and molecular weight 213.08 g/mol. IUPAC: (3-methylphenyl) pyridine-3-carboxylate.
Chemical Property Profile of Nicotinic acid, 3-methylphenyl ester
Property Insights of Nicotinic acid, 3-methylphenyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinic acid, 3-methylphenyl ester. With a topological polar surface area (TPSA) of 39.2 Ų, Nicotinic acid, 3-methylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinic acid, 3-methylphenyl 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 Nicotinic acid, 3-methylphenyl ester?
The CAS number of Nicotinic acid, 3-methylphenyl ester is 3468-50-6.
What is the molecular formula of Nicotinic acid, 3-methylphenyl ester?
The molecular formula of Nicotinic acid, 3-methylphenyl ester is C13H11NO2.
What is the molecular weight of Nicotinic acid, 3-methylphenyl ester?
The molecular weight of Nicotinic acid, 3-methylphenyl ester is 213.08 g/mol.
Where can I buy Nicotinic acid, 3-methylphenyl ester?
You can request a quote for Nicotinic acid, 3-methylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinic acid, 3-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid, 3-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.