Methyl 4-pentenoate
TL;DR: Methyl 4-pentenoate (CAS 818-57-5) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl pent-4-enoate
Also Known As: methyl pent-4-enoate, Methyl 4-pentenoate, Methyl allylacetate, 4-Pentenoic acid methyl ester, 4-Pentenoic acid, methyl ester
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 818-57-5 |
|---|---|
| SMILES | COC(=O)CCC=C |
| InChIKey | SHCSFZHSNSGTOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-pentenoate (CAS 818-57-5), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: methyl pent-4-enoate.
Chemical Property Profile of Methyl 4-pentenoate
Property Insights of Methyl 4-pentenoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-pentenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-pentenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-pentenoate 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-pentenoate?
The CAS number of Methyl 4-pentenoate is 818-57-5.
What is the molecular formula of Methyl 4-pentenoate?
The molecular formula of Methyl 4-pentenoate is C6H10O2.
What is the molecular weight of Methyl 4-pentenoate?
The molecular weight of Methyl 4-pentenoate is 114.07 g/mol.
Where can I buy Methyl 4-pentenoate?
You can request a quote for Methyl 4-pentenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-pentenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-pentenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.