Methyl 3-pentenoate
TL;DR: Methyl 3-pentenoate (CAS 818-58-6) 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-3-enoate
Also Known As: Methyl 3-pentenoate, Methyl pent-3-enoate, methyl-3 penteneoate, Methyl trans-3-pentenoate, Methyl (E)-3-pentenoate
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 818-58-6 |
|---|---|
| SMILES | CC=CCC(=O)OC |
| InChIKey | KJALUUCEMMPKAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-pentenoate (CAS 818-58-6), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: methyl pent-3-enoate.
Chemical Property Profile of Methyl 3-pentenoate
Property Insights of Methyl 3-pentenoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-pentenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-pentenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-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 3-pentenoate?
The CAS number of Methyl 3-pentenoate is 818-58-6.
What is the molecular formula of Methyl 3-pentenoate?
The molecular formula of Methyl 3-pentenoate is C6H10O2.
What is the molecular weight of Methyl 3-pentenoate?
The molecular weight of Methyl 3-pentenoate is 114.07 g/mol.
Where can I buy Methyl 3-pentenoate?
You can request a quote for Methyl 3-pentenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-pentenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-pentenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.