Methyl 3-nonenoate
TL;DR: Methyl 3-nonenoate (CAS 13481-87-3) 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-3-enoate
Also Known As: Methyl 3-nonenoate, Methyl non-3-enoate, 3-Nonenoic acid, methyl ester, methyl (E)-non-3-enoate, methyl (E)-3-nonenoate
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
| Density | 0.880-0.900 (20°) |
| Solubility | insoluble in water |
| Refractive Index | 1.432-1.442 |
Chemical Identifiers
| CAS Number | 13481-87-3 |
|---|---|
| SMILES | CCCCCC=CCC(=O)OC |
| InChIKey | MTDCXFZGUVZRSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-nonenoate (CAS 13481-87-3), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: methyl non-3-enoate.
Chemical Property Profile of Methyl 3-nonenoate
Property Insights of Methyl 3-nonenoate
The XLogP value of 3.2 indicates that Methyl 3-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 3-nonenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-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 3-nonenoate?
The CAS number of Methyl 3-nonenoate is 13481-87-3.
What is the molecular formula of Methyl 3-nonenoate?
The molecular formula of Methyl 3-nonenoate is C10H18O2.
What is the molecular weight of Methyl 3-nonenoate?
The molecular weight of Methyl 3-nonenoate is 170.13 g/mol.
Where can I buy Methyl 3-nonenoate?
You can request a quote for Methyl 3-nonenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-nonenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-nonenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.