2-Hexyl-4-pentynoic Acid
TL;DR: 2-Hexyl-4-pentynoic Acid (CAS 96017-59-3) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-2-ynyloctanoic acid
Also Known As: 2-Hexyl-4-pentynoic Acid, 2-(prop-2-yn-1-yl)octanoic acid, 2-prop-2-ynyloctanoic Acid, 2-(2-Propynyl)octanoic Acid, 2-Propargyloctanoic Acid
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 96017-59-3 |
|---|---|
| SMILES | CCCCCCC(CC#C)C(=O)O |
| InChIKey | DUQSBRQHALCSLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hexyl-4-pentynoic Acid (CAS 96017-59-3), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: 2-prop-2-ynyloctanoic acid.
Chemical Property Profile of 2-Hexyl-4-pentynoic Acid
Property Insights of 2-Hexyl-4-pentynoic Acid
The XLogP value of 3.4 indicates that 2-Hexyl-4-pentynoic 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-Hexyl-4-pentynoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexyl-4-pentynoic 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-Hexyl-4-pentynoic Acid?
The CAS number of 2-Hexyl-4-pentynoic Acid is 96017-59-3.
What is the molecular formula of 2-Hexyl-4-pentynoic Acid?
The molecular formula of 2-Hexyl-4-pentynoic Acid is C11H18O2.
What is the molecular weight of 2-Hexyl-4-pentynoic Acid?
The molecular weight of 2-Hexyl-4-pentynoic Acid is 182.13 g/mol.
Where can I buy 2-Hexyl-4-pentynoic Acid?
You can request a quote for 2-Hexyl-4-pentynoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexyl-4-pentynoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexyl-4-pentynoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.