Methyl 4-octenoate
TL;DR: Methyl 4-octenoate (CAS 81586-83-6) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl oct-4-enoate
Also Known As: methyl 4-octenoate, Methyl (Z)-4-octenoate, 4-Octenoic acid, methyl ester, 4-Octenoic acid, methyl ester, (4E)-
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 81586-83-6 |
|---|---|
| SMILES | CCCC=CCCC(=O)OC |
| InChIKey | SSPBQLGVUAXSMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-octenoate (CAS 81586-83-6), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: methyl oct-4-enoate.
Chemical Property Profile of Methyl 4-octenoate
Property Insights of Methyl 4-octenoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-octenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-octenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-octenoate 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 4-octenoate?
The CAS number of Methyl 4-octenoate is 81586-83-6.
What is the molecular formula of Methyl 4-octenoate?
The molecular formula of Methyl 4-octenoate is C9H16O2.
What is the molecular weight of Methyl 4-octenoate?
The molecular weight of Methyl 4-octenoate is 156.12 g/mol.
Where can I buy Methyl 4-octenoate?
You can request a quote for Methyl 4-octenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-octenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-octenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.