Methyl 6-methoxyhexanoate
TL;DR: Methyl 6-methoxyhexanoate (CAS 41796-80-9) 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.
methyl 6-methoxyhexanoate
Also Known As: methyl 6-methoxyhexanoate, Methyl 5-methoxyhexanoate, methyl 6-methoxy-caproate, 6-Methoxyhexanoic acid methyl ester, 6-methoxy-hexanoic acid methyl ester
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 41796-80-9 |
|---|---|
| SMILES | COCCCCCC(=O)OC |
| InChIKey | FIKBFOVXDFUWBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 6-methoxyhexanoate (CAS 41796-80-9), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: methyl 6-methoxyhexanoate.
Chemical Property Profile of Methyl 6-methoxyhexanoate
Property Insights of Methyl 6-methoxyhexanoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-methoxyhexanoate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 6-methoxyhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-methoxyhexanoate has 0 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 6-methoxyhexanoate?
The CAS number of Methyl 6-methoxyhexanoate is 41796-80-9.
What is the molecular formula of Methyl 6-methoxyhexanoate?
The molecular formula of Methyl 6-methoxyhexanoate is C8H16O3.
What is the molecular weight of Methyl 6-methoxyhexanoate?
The molecular weight of Methyl 6-methoxyhexanoate is 160.11 g/mol.
Where can I buy Methyl 6-methoxyhexanoate?
You can request a quote for Methyl 6-methoxyhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-methoxyhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-methoxyhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.