2-Hexadecynoic acid
TL;DR: 2-Hexadecynoic acid (CAS 2834-03-9) is a chemical compound with molecular formula C16H28O2 and molecular weight 252.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadec-2-ynoic acid
Also Known As: 2-Hexadecynoic acid, Acetylenic acid, hexadec-2-ynoic acid, 2-Hexadecynoate, 2-hexadecynoicacid
| Molecular Formula | C16H28O2 |
|---|---|
| Molecular Weight | 252.21 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 252.20892 |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 2834-03-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCC#CC(=O)O |
| InChIKey | MECFGCCEVOFCNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hexadecynoic acid (CAS 2834-03-9), with molecular formula C16H28O2 and molecular weight 252.21 g/mol. IUPAC: hexadec-2-ynoic acid.
Chemical Property Profile of 2-Hexadecynoic acid
Property Insights of 2-Hexadecynoic acid
The XLogP value of 7.2 indicates that 2-Hexadecynoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Hexadecynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexadecynoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Hexadecynoic acid?
The CAS number of 2-Hexadecynoic acid is 2834-03-9.
What is the molecular formula of 2-Hexadecynoic acid?
The molecular formula of 2-Hexadecynoic acid is C16H28O2.
What is the molecular weight of 2-Hexadecynoic acid?
The molecular weight of 2-Hexadecynoic acid is 252.21 g/mol.
Where can I buy 2-Hexadecynoic acid?
You can request a quote for 2-Hexadecynoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexadecynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexadecynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.