2-Methylphenyl nicotinate
TL;DR: 2-Methylphenyl nicotinate (CAS 3468-49-3) 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.
(2-methylphenyl) pyridine-3-carboxylate
Also Known As: 2-methylphenyl nicotinate, o-tolyl nicotinate, Nicotinic acid o-tolyl ester, (2-methylphenyl) pyridine-3-carboxylate, 2-methylphenyl pyridine-3-carboxylate
| Molecular Formula | C13H11NO2 |
|---|---|
| Molecular Weight | 213.08 g/mol |
| LogP | 2.60922 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.07898 |
| Heavy Atoms | 16 |
| Complexity | 494.2956 |
Chemical Identifiers
| CAS Number | 3468-49-3 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(=O)C2=CN=CC=C2 |
Product Overview
2-Methylphenyl nicotinate (CAS 3468-49-3), with molecular formula C13H11NO2 and molecular weight 213.08 g/mol. IUPAC: (2-methylphenyl) pyridine-3-carboxylate.
Chemical Property Profile of 2-Methylphenyl nicotinate
Property Insights of 2-Methylphenyl nicotinate
The XLogP value of 2.60922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylphenyl nicotinate. With a topological polar surface area (TPSA) of 39.19 Ų, 2-Methylphenyl nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylphenyl nicotinate 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 2-Methylphenyl nicotinate?
The CAS number of 2-Methylphenyl nicotinate is 3468-49-3.
What is the molecular formula of 2-Methylphenyl nicotinate?
The molecular formula of 2-Methylphenyl nicotinate is C13H11NO2.
What is the molecular weight of 2-Methylphenyl nicotinate?
The molecular weight of 2-Methylphenyl nicotinate is 213.08 g/mol.
Where can I buy 2-Methylphenyl nicotinate?
You can request a quote for 2-Methylphenyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylphenyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylphenyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.