Hexadecanenitrile
TL;DR: Hexadecanenitrile (CAS 629-79-8) is a chemical compound with molecular formula C16H31N and molecular weight 237.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecanenitrile
Also Known As: Hexadecanenitrile, Palmitonitrile, 1-Cyanopentadecane, Palmitic acid, nitrile, Palmitonitrile (8CI)
| Molecular Formula | C16H31N |
|---|---|
| Molecular Weight | 237.25 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 13 |
| Exact Mass | 237.24565 |
| Heavy Atoms | 17 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 629-79-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC#N |
| InChIKey | WGXGAUQEMYSVJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexadecanenitrile (CAS 629-79-8), with molecular formula C16H31N and molecular weight 237.25 g/mol. IUPAC: hexadecanenitrile.
Chemical Property Profile of Hexadecanenitrile
Property Insights of Hexadecanenitrile
The XLogP value of 6.9 indicates that Hexadecanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Hexadecanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecanenitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexadecanenitrile?
The CAS number of Hexadecanenitrile is 629-79-8.
What is the molecular formula of Hexadecanenitrile?
The molecular formula of Hexadecanenitrile is C16H31N.
What is the molecular weight of Hexadecanenitrile?
The molecular weight of Hexadecanenitrile is 237.25 g/mol.
Where can I buy Hexadecanenitrile?
You can request a quote for Hexadecanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecanenitrile?
Yes, KEHONG BIO provides custom synthesis services for Hexadecanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.