5-Hydroxy-2-ethylhexanoic acid
TL;DR: 5-Hydroxy-2-ethylhexanoic acid (CAS 64047-12-7) is a chemical compound with molecular formula C8H16O3 and molecular weight 160.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-5-hydroxyhexanoic acid
Also Known As: 2-Ethyl-5-hydroxyhexanoic acid, 5-Hydroxy-2-ethylhexanoic acid, Hexanoic Acid, 2-ethyl-5-hydroxy-, 2-ethyl-5-hydroxy-hexanoic acid, Hexanoic Acid,2-ethyl-5-hydroxy
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 64047-12-7 |
|---|---|
| SMILES | CCC(CCC(C)O)C(=O)O |
| InChIKey | HHFNVTSMPXIGRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Hydroxy-2-ethylhexanoic acid (CAS 64047-12-7), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: 2-ethyl-5-hydroxyhexanoic acid.
Chemical Property Profile of 5-Hydroxy-2-ethylhexanoic acid
Property Insights of 5-Hydroxy-2-ethylhexanoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxy-2-ethylhexanoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 5-Hydroxy-2-ethylhexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hydroxy-2-ethylhexanoic acid has 2 hydrogen bond donor(s) and 3 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-Hydroxy-2-ethylhexanoic acid?
The CAS number of 5-Hydroxy-2-ethylhexanoic acid is 64047-12-7.
What is the molecular formula of 5-Hydroxy-2-ethylhexanoic acid?
The molecular formula of 5-Hydroxy-2-ethylhexanoic acid is C8H16O3.
What is the molecular weight of 5-Hydroxy-2-ethylhexanoic acid?
The molecular weight of 5-Hydroxy-2-ethylhexanoic acid is 160.11 g/mol.
Where can I buy 5-Hydroxy-2-ethylhexanoic acid?
You can request a quote for 5-Hydroxy-2-ethylhexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-2-ethylhexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-2-ethylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.