2-(p-Tolyl)ethyl nicotinate
TL;DR: 2-(p-Tolyl)ethyl nicotinate (CAS 21173-27-3) is a chemical compound with molecular formula C15H15NO2 and molecular weight 241.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)ethyl pyridine-3-carboxylate
Also Known As: 2-(p-Tolyl)ethyl nicotinate, p-Tolylmethylcarbinol-nicotinic acid ester, NICOTINIC ACID, p-METHYLPHENETHYL ESTER, 2-(4-methylphenyl)ethyl pyridine-3-carboxylate, NICOTINIC ACID,p-METHYLPHENETHYL ESTER
| Molecular Formula | C15H15NO2 |
|---|---|
| Molecular Weight | 241.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.11028 |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 21173-27-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CCOC(=O)C2=CN=CC=C2 |
| InChIKey | VBKBPKQFPBNSKY-UHFFFAOYSA-N |
Product Overview
2-(p-Tolyl)ethyl nicotinate (CAS 21173-27-3), with molecular formula C15H15NO2 and molecular weight 241.11 g/mol. IUPAC: 2-(4-methylphenyl)ethyl pyridine-3-carboxylate.
Chemical Property Profile of 2-(p-Tolyl)ethyl nicotinate
Property Insights of 2-(p-Tolyl)ethyl nicotinate
The XLogP value of 3.3 indicates that 2-(p-Tolyl)ethyl nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, 2-(p-Tolyl)ethyl nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(p-Tolyl)ethyl 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-(p-Tolyl)ethyl nicotinate?
The CAS number of 2-(p-Tolyl)ethyl nicotinate is 21173-27-3.
What is the molecular formula of 2-(p-Tolyl)ethyl nicotinate?
The molecular formula of 2-(p-Tolyl)ethyl nicotinate is C15H15NO2.
What is the molecular weight of 2-(p-Tolyl)ethyl nicotinate?
The molecular weight of 2-(p-Tolyl)ethyl nicotinate is 241.11 g/mol.
Where can I buy 2-(p-Tolyl)ethyl nicotinate?
You can request a quote for 2-(p-Tolyl)ethyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(p-Tolyl)ethyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-(p-Tolyl)ethyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.