Methyl 3-hexenoate, (3Z)-
TL;DR: Methyl 3-hexenoate, (3Z)- (CAS 13894-62-7) 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 (Z)-hex-3-enoate
Also Known As: methyl (Z)-3-hexenoate, Methyl cis-3-hexenoate, methyl (Z)-hex-3-enoate, Methyl 3-hexenoate, (3Z)-, Methyl hydrosorbate
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.5157 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 105.48378 |
Chemical Identifiers
| CAS Number | 13894-62-7 |
|---|---|
| SMILES | CC/C=C\CC(=O)OC |
Product Overview
Methyl 3-hexenoate, (3Z)- (CAS 13894-62-7), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: methyl (Z)-hex-3-enoate.
Chemical Property Profile of Methyl 3-hexenoate, (3Z)-
Property Insights of Methyl 3-hexenoate, (3Z)-
The XLogP value of 1.5157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-hexenoate, (3Z)-. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-hexenoate, (3Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-hexenoate, (3Z)- 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-hexenoate, (3Z)-?
The CAS number of Methyl 3-hexenoate, (3Z)- is 13894-62-7.
What is the molecular formula of Methyl 3-hexenoate, (3Z)-?
The molecular formula of Methyl 3-hexenoate, (3Z)- is C7H12O2.
What is the molecular weight of Methyl 3-hexenoate, (3Z)-?
The molecular weight of Methyl 3-hexenoate, (3Z)- is 128.08 g/mol.
Where can I buy Methyl 3-hexenoate, (3Z)-?
You can request a quote for Methyl 3-hexenoate, (3Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-hexenoate, (3Z)-?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-hexenoate, (3Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.