Methyl 2-hexenoate
TL;DR: Methyl 2-hexenoate (CAS 2396-77-2) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl hex-2-enoate
Also Known As: METHYL 2-HEXENOATE, methyl hex-2-enoate, 2-Hexenoic acid, methyl ester, methyl hexenoate, methyl hexaenoate
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
| Density | 0.911-0.916 |
| Solubility | Very slightly soluble in water; soluble in oils |
| Refractive Index | 1.423-1.429 |
Chemical Identifiers
| CAS Number | 2396-77-2 |
|---|---|
| SMILES | CCCC=CC(=O)OC |
| InChIKey | GFUGBRNILVVWIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-hexenoate (CAS 2396-77-2), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: methyl hex-2-enoate.
Chemical Property Profile of Methyl 2-hexenoate
Property Insights of Methyl 2-hexenoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-hexenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-hexenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-hexenoate 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 2-hexenoate?
The CAS number of Methyl 2-hexenoate is 2396-77-2.
What is the molecular formula of Methyl 2-hexenoate?
The molecular formula of Methyl 2-hexenoate is C7H12O2.
What is the molecular weight of Methyl 2-hexenoate?
The molecular weight of Methyl 2-hexenoate is 128.08 g/mol.
Where can I buy Methyl 2-hexenoate?
You can request a quote for Methyl 2-hexenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-hexenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hexenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.