2-(Hexadecylthio)ethyl nicotinate
TL;DR: 2-(Hexadecylthio)ethyl nicotinate (CAS 101952-61-8) is a chemical compound with molecular formula C24H41NO2S and molecular weight 407.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexadecylsulfanylethyl pyridine-3-carboxylate
Also Known As: 2-(Hexadecylthio)ethyl nicotinate, 2-(Hexadecylthio)ethyl=nicotinate, NICOTINIC ACID, 2-(HEXADECYLTHIO)ETHYL ESTER, 4-22-00-00371 (Beilstein Handbook Reference), 2-hexadecylsulfanylethyl pyridine-3-carboxylate
| Molecular Formula | C24H41NO2S |
|---|---|
| Molecular Weight | 407.29 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 64.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 407.2858 |
| Heavy Atoms | 28 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 101952-61-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCSCCOC(=O)C1=CN=CC=C1 |
| InChIKey | NZPVJPZUSNFEJH-UHFFFAOYSA-N |
Product Overview
2-(Hexadecylthio)ethyl nicotinate (CAS 101952-61-8), with molecular formula C24H41NO2S and molecular weight 407.29 g/mol. IUPAC: 2-hexadecylsulfanylethyl pyridine-3-carboxylate.
Chemical Property Profile of 2-(Hexadecylthio)ethyl nicotinate
Property Insights of 2-(Hexadecylthio)ethyl nicotinate
The XLogP value of 9.7 indicates that 2-(Hexadecylthio)ethyl nicotinate 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 2-(Hexadecylthio)ethyl nicotinate. Following Lipinski's Rule of Five, 2-(Hexadecylthio)ethyl nicotinate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Hexadecylthio)ethyl nicotinate?
The CAS number of 2-(Hexadecylthio)ethyl nicotinate is 101952-61-8.
What is the molecular formula of 2-(Hexadecylthio)ethyl nicotinate?
The molecular formula of 2-(Hexadecylthio)ethyl nicotinate is C24H41NO2S.
What is the molecular weight of 2-(Hexadecylthio)ethyl nicotinate?
The molecular weight of 2-(Hexadecylthio)ethyl nicotinate is 407.29 g/mol.
Where can I buy 2-(Hexadecylthio)ethyl nicotinate?
You can request a quote for 2-(Hexadecylthio)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-(Hexadecylthio)ethyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hexadecylthio)ethyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.