2-Hexynoic Acid
TL;DR: 2-Hexynoic Acid (CAS 764-33-0) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-2-ynoic acid
Also Known As: 2-Hexynoic acid, hex-2-ynoic acid, hexynoic acid, 2-HEXYNOICACID, 2-Hexynoic acid, 97%
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 764-33-0 |
|---|---|
| SMILES | CCCC#CC(=O)O |
| InChIKey | AKYAUBWOTZJUBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hexynoic Acid (CAS 764-33-0), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: hex-2-ynoic acid.
Chemical Property Profile of 2-Hexynoic Acid
Property Insights of 2-Hexynoic Acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexynoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Hexynoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexynoic Acid has 1 hydrogen bond donor(s) and 2 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 2-Hexynoic Acid?
The CAS number of 2-Hexynoic Acid is 764-33-0.
What is the molecular formula of 2-Hexynoic Acid?
The molecular formula of 2-Hexynoic Acid is C6H8O2.
What is the molecular weight of 2-Hexynoic Acid?
The molecular weight of 2-Hexynoic Acid is 112.05 g/mol.
Where can I buy 2-Hexynoic Acid?
You can request a quote for 2-Hexynoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexynoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexynoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.