Methyl 5-Hexenoate
TL;DR: Methyl 5-Hexenoate (CAS 2396-80-7) 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-5-enoate
Also Known As: Methyl 5-hexenoate, methyl hex-5-enoate, 5-Hexenoic Acid Methyl Ester, Methyl5-hexenoate, n-bromoacetamide
| 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 | 5 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 2396-80-7 |
|---|---|
| SMILES | COC(=O)CCCC=C |
| InChIKey | ASKDFGVMJZMYEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-Hexenoate (CAS 2396-80-7), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: methyl hex-5-enoate.
Chemical Property Profile of Methyl 5-Hexenoate
Property Insights of Methyl 5-Hexenoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-Hexenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 5-Hexenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-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 5-Hexenoate?
The CAS number of Methyl 5-Hexenoate is 2396-80-7.
What is the molecular formula of Methyl 5-Hexenoate?
The molecular formula of Methyl 5-Hexenoate is C7H12O2.
What is the molecular weight of Methyl 5-Hexenoate?
The molecular weight of Methyl 5-Hexenoate is 128.08 g/mol.
Where can I buy Methyl 5-Hexenoate?
You can request a quote for Methyl 5-Hexenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-Hexenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-Hexenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.