Methyl pentenoate
TL;DR: Methyl pentenoate (CAS 30644-57-6) 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-2-enoate
Also Known As: Methyl 2-pentenoate, methyl pent-2-enoate, methyl pentenoate, methoxycarbonylbutene, METHYL2-PENTENOATE
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.4 |
| 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 | 30644-57-6 |
|---|---|
| SMILES | CCC=CC(=O)OC |
| InChIKey | MBAHGFJTIVZLFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl pentenoate (CAS 30644-57-6), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: methyl pent-2-enoate.
Chemical Property Profile of Methyl pentenoate
Property Insights of Methyl pentenoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl pentenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl pentenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 pentenoate?
The CAS number of Methyl pentenoate is 30644-57-6.
What is the molecular formula of Methyl pentenoate?
The molecular formula of Methyl pentenoate is C6H10O2.
What is the molecular weight of Methyl pentenoate?
The molecular weight of Methyl pentenoate is 114.07 g/mol.
Where can I buy Methyl pentenoate?
You can request a quote for Methyl pentenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl pentenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl pentenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.