Methyl 3-hydroxyhexanoate
TL;DR: Methyl 3-hydroxyhexanoate (CAS 109053-86-3) 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.
methyl 3-hydroxyhexanoate
Also Known As: Methyl 3-hydroxyhexanoate, Methyl 3-hydroxycaproate, 3-hydroxyhexanoic acid methyl ester, Hexanoic acid, 3-hydroxy-, methyl ester, Methyl beta-hydroxycaproate
| Molecular Formula | C7H14O3 |
|---|---|
| Molecular Weight | 146.09 g/mol |
| LogP | 0.7 |
| 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 | 109053-86-3 |
|---|---|
| SMILES | CCCC(CC(=O)OC)O |
| InChIKey | ACCRBMDJCPPJDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-hydroxyhexanoate (CAS 109053-86-3), with molecular formula C7H14O3 and molecular weight 146.09 g/mol. IUPAC: methyl 3-hydroxyhexanoate.
Chemical Property Profile of Methyl 3-hydroxyhexanoate
Property Insights of Methyl 3-hydroxyhexanoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-hydroxyhexanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 3-hydroxyhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-hydroxyhexanoate 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 Methyl 3-hydroxyhexanoate?
The CAS number of Methyl 3-hydroxyhexanoate is 109053-86-3.
What is the molecular formula of Methyl 3-hydroxyhexanoate?
The molecular formula of Methyl 3-hydroxyhexanoate is C7H14O3.
What is the molecular weight of Methyl 3-hydroxyhexanoate?
The molecular weight of Methyl 3-hydroxyhexanoate is 146.09 g/mol.
Where can I buy Methyl 3-hydroxyhexanoate?
You can request a quote for Methyl 3-hydroxyhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-hydroxyhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-hydroxyhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.