Methyl 8-nonenoate
TL;DR: Methyl 8-nonenoate (CAS 20731-23-1) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl non-8-enoate
Also Known As: Methyl 8-nonenoate, methyl non-8-enoate, 8-Nonenoic acid, methyl ester, methyl 8-nonenate, 8-Nonenoicacidmethylester
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 20731-23-1 |
|---|---|
| SMILES | COC(=O)CCCCCCC=C |
| InChIKey | PWAJIGUTWKGVLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 8-nonenoate (CAS 20731-23-1), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: methyl non-8-enoate.
Chemical Property Profile of Methyl 8-nonenoate
Property Insights of Methyl 8-nonenoate
The XLogP value of 3.1 indicates that Methyl 8-nonenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 8-nonenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 8-nonenoate has 0 hydrogen bond donor(s) and 2 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 8-nonenoate?
The CAS number of Methyl 8-nonenoate is 20731-23-1.
What is the molecular formula of Methyl 8-nonenoate?
The molecular formula of Methyl 8-nonenoate is C10H18O2.
What is the molecular weight of Methyl 8-nonenoate?
The molecular weight of Methyl 8-nonenoate is 170.13 g/mol.
Where can I buy Methyl 8-nonenoate?
You can request a quote for Methyl 8-nonenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 8-nonenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 8-nonenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.