3-Hydroxy-5-methylhexanoic acid
TL;DR: 3-Hydroxy-5-methylhexanoic acid (CAS 5331-95-3) is a chemical compound with molecular formula C7H14O3 and molecular weight 146.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-5-methylhexanoic acid
Also Known As: 3-hydroxy-5-methylhexanoic acid, 3-Hydroxyisoheptanoic acid, 3-Hydroxyisoheptanoate, 3-hydroxy-5-methyl-hexanoic acid, 3-Hydroxy-5-methylhexanoate
| Molecular Formula | C7H14O3 |
|---|---|
| Molecular Weight | 146.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.0943 |
| Heavy Atoms | 10 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 5331-95-3 |
|---|---|
| SMILES | CC(C)CC(CC(=O)O)O |
| InChIKey | SCAWECGFPWPHAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-5-methylhexanoic acid (CAS 5331-95-3), with molecular formula C7H14O3 and molecular weight 146.09 g/mol. IUPAC: 3-hydroxy-5-methylhexanoic acid.
Chemical Property Profile of 3-Hydroxy-5-methylhexanoic acid
Property Insights of 3-Hydroxy-5-methylhexanoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-5-methylhexanoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 3-Hydroxy-5-methylhexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-5-methylhexanoic 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 3-Hydroxy-5-methylhexanoic acid?
The CAS number of 3-Hydroxy-5-methylhexanoic acid is 5331-95-3.
What is the molecular formula of 3-Hydroxy-5-methylhexanoic acid?
The molecular formula of 3-Hydroxy-5-methylhexanoic acid is C7H14O3.
What is the molecular weight of 3-Hydroxy-5-methylhexanoic acid?
The molecular weight of 3-Hydroxy-5-methylhexanoic acid is 146.09 g/mol.
Where can I buy 3-Hydroxy-5-methylhexanoic acid?
You can request a quote for 3-Hydroxy-5-methylhexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-5-methylhexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-5-methylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.