3-Methoxyhexanoic acid
TL;DR: 3-Methoxyhexanoic acid (CAS 5413-09-2) 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-methoxyhexanoic acid
Also Known As: 3-methoxyhexanoic acid
| Molecular Formula | C7H14O3 |
|---|---|
| Molecular Weight | 146.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.0943 |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 5413-09-2 |
|---|---|
| SMILES | CCCC(CC(=O)O)OC |
| InChIKey | NRBNOCSQNXBBGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxyhexanoic acid (CAS 5413-09-2), with molecular formula C7H14O3 and molecular weight 146.09 g/mol. IUPAC: 3-methoxyhexanoic acid.
Chemical Property Profile of 3-Methoxyhexanoic acid
Property Insights of 3-Methoxyhexanoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxyhexanoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Methoxyhexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxyhexanoic acid has 1 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-Methoxyhexanoic acid?
The CAS number of 3-Methoxyhexanoic acid is 5413-09-2.
What is the molecular formula of 3-Methoxyhexanoic acid?
The molecular formula of 3-Methoxyhexanoic acid is C7H14O3.
What is the molecular weight of 3-Methoxyhexanoic acid?
The molecular weight of 3-Methoxyhexanoic acid is 146.09 g/mol.
Where can I buy 3-Methoxyhexanoic acid?
You can request a quote for 3-Methoxyhexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxyhexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxyhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.