5-Hexynoic acid
TL;DR: 5-Hexynoic acid (CAS 53293-00-8) 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-5-ynoic acid
Also Known As: 5-Hexynoic acid, hex-5-ynoic acid, 4-Ethynylbutyric acid, 5-Hexyn-1-oic acid, 5-HEXYNOICACID
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 53293-00-8 |
|---|---|
| SMILES | C#CCCCC(=O)O |
| InChIKey | VPFMEXRVUOPYRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Hexynoic acid (CAS 53293-00-8), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: hex-5-ynoic acid.
Chemical Property Profile of 5-Hexynoic acid
Property Insights of 5-Hexynoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hexynoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 5-Hexynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-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 5-Hexynoic acid?
The CAS number of 5-Hexynoic acid is 53293-00-8.
What is the molecular formula of 5-Hexynoic acid?
The molecular formula of 5-Hexynoic acid is C6H8O2.
What is the molecular weight of 5-Hexynoic acid?
The molecular weight of 5-Hexynoic acid is 112.05 g/mol.
Where can I buy 5-Hexynoic acid?
You can request a quote for 5-Hexynoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hexynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Hexynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.