Nicotinic acid, 2-(hexylthio)ethyl ester
TL;DR: Nicotinic acid, 2-(hexylthio)ethyl ester (CAS 101952-62-9) is a chemical compound with molecular formula C14H21NO2S and molecular weight 267.1293 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hexylsulfanylethyl pyridine-3-carboxylate
Also Known As: 2-(Hexylthio)ethyl nicotinate, 2-(Hexylthio)ethyl=nicotinate, NICOTINIC ACID, 2-(HEXYLTHIO)ETHYL ESTER, 2-(hexylsulfanyl)ethyl pyridine-3-carboxylate, 2-hexylsulfanylethyl pyridine-3-carboxylate
Technical Specifications
| Molecular Formula | C14H21NO2S |
| Molecular Weight | 267.1293 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 64.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 267.1293 Da |
| Heavy Atoms | 18 |
| Complexity | 224.0 |
| SMILES | CCCCCCSCCOC(=O)C1=CN=CC=C1 |
| InChIKey | VLJAYAMTEKTAMW-UHFFFAOYSA-N |
Chemical Property Profile of Nicotinic acid, 2-(hexylthio)ethyl ester
Property Insights of Nicotinic acid, 2-(hexylthio)ethyl ester
The XLogP value of 4.2 indicates that Nicotinic acid, 2-(hexylthio)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicotinic acid, 2-(hexylthio)ethyl ester. Following Lipinski's Rule of Five, Nicotinic acid, 2-(hexylthio)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
What is the CAS number of Nicotinic acid, 2-(hexylthio)ethyl ester?
The CAS number of Nicotinic acid, 2-(hexylthio)ethyl ester is 101952-62-9.
What is the molecular formula of Nicotinic acid, 2-(hexylthio)ethyl ester?
The molecular formula of Nicotinic acid, 2-(hexylthio)ethyl ester is C14H21NO2S.
What is the molecular weight of Nicotinic acid, 2-(hexylthio)ethyl ester?
The molecular weight of Nicotinic acid, 2-(hexylthio)ethyl ester is 267.1293 g/mol.
Where can I buy Nicotinic acid, 2-(hexylthio)ethyl ester?
You can request a quote for Nicotinic acid, 2-(hexylthio)ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nicotinic acid, 2-(hexylthio)ethyl ester?
Yes, CoreyChem provides custom synthesis services for Nicotinic acid, 2-(hexylthio)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.