2-Phenylethyl nicotinate
TL;DR: 2-Phenylethyl nicotinate (CAS 7248-49-9) 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-3-carboxylate
Also Known As: 2-Phenylethyl nicotinate, Phenethyl nicotinate, 2-phenylethylnicotinate, Phenylethyl nicotinate, 2-phenylethyl pyridine-3-carboxylate
| 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 | 236.0 |
Chemical Identifiers
| CAS Number | 7248-49-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOC(=O)C2=CN=CC=C2 |
| InChIKey | BSTITMHKRRGVPH-UHFFFAOYSA-N |
Product Overview
2-Phenylethyl nicotinate (CAS 7248-49-9), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: 2-phenylethyl pyridine-3-carboxylate.
Chemical Property Profile of 2-Phenylethyl nicotinate
Property Insights of 2-Phenylethyl nicotinate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylethyl nicotinate. With a topological polar surface area (TPSA) of 39.2 Ų, 2-Phenylethyl nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylethyl 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-Phenylethyl nicotinate?
The CAS number of 2-Phenylethyl nicotinate is 7248-49-9.
What is the molecular formula of 2-Phenylethyl nicotinate?
The molecular formula of 2-Phenylethyl nicotinate is C14H13NO2.
What is the molecular weight of 2-Phenylethyl nicotinate?
The molecular weight of 2-Phenylethyl nicotinate is 227.09 g/mol.
Where can I buy 2-Phenylethyl nicotinate?
You can request a quote for 2-Phenylethyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylethyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylethyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.