Nicotinic acid, 2-(propylthio)ethyl ester
TL;DR: Nicotinic acid, 2-(propylthio)ethyl ester (CAS 101952-73-2) is a chemical compound with molecular formula C11H15NO2S and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propylsulfanylethyl pyridine-3-carboxylate
Also Known As: 2-(Propylthio)ethyl nicotinate, 2-propylsulfanylethyl pyridine-3-carboxylate, 2-(Propylthio)ethyl=nicotinate, NICOTINIC ACID, 2-(PROPYLTHIO)ETHYL ESTER, 4-22-00-00371 (Beilstein Handbook Reference)
| Molecular Formula | C11H15NO2S |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 64.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 225.08235 |
| Heavy Atoms | 15 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 101952-73-2 |
|---|---|
| SMILES | CCCSCCOC(=O)C1=CN=CC=C1 |
| InChIKey | ONMGOZLNJYTEJK-UHFFFAOYSA-N |
Product Overview
Nicotinic acid, 2-(propylthio)ethyl ester (CAS 101952-73-2), with molecular formula C11H15NO2S and molecular weight 225.08 g/mol. IUPAC: 2-propylsulfanylethyl pyridine-3-carboxylate.
Chemical Property Profile of Nicotinic acid, 2-(propylthio)ethyl ester
Property Insights of Nicotinic acid, 2-(propylthio)ethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinic acid, 2-(propylthio)ethyl ester. The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicotinic acid, 2-(propylthio)ethyl ester. Following Lipinski's Rule of Five, Nicotinic acid, 2-(propylthio)ethyl ester has 0 hydrogen bond donor(s) and 4 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, 2-(propylthio)ethyl ester?
The CAS number of Nicotinic acid, 2-(propylthio)ethyl ester is 101952-73-2.
What is the molecular formula of Nicotinic acid, 2-(propylthio)ethyl ester?
The molecular formula of Nicotinic acid, 2-(propylthio)ethyl ester is C11H15NO2S.
What is the molecular weight of Nicotinic acid, 2-(propylthio)ethyl ester?
The molecular weight of Nicotinic acid, 2-(propylthio)ethyl ester is 225.08 g/mol.
Where can I buy Nicotinic acid, 2-(propylthio)ethyl ester?
You can request a quote for Nicotinic acid, 2-(propylthio)ethyl 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, 2-(propylthio)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid, 2-(propylthio)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.