Methyl 3-butenoate
TL;DR: Methyl 3-butenoate (CAS 3724-55-8) is a chemical compound with molecular formula C5H8O2 and molecular weight 100.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl but-3-enoate
Also Known As: Methyl 3-butenoate, Methyl But-3-enoate, 3-Butenoic acid, methyl ester, methyl-3-butenoate, methylbut-3-enoate
| Molecular Formula | C5H8O2 |
|---|---|
| Molecular Weight | 100.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 100.05243 |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 3724-55-8 |
|---|---|
| SMILES | COC(=O)CC=C |
| InChIKey | GITITJADGZYSRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-butenoate (CAS 3724-55-8), with molecular formula C5H8O2 and molecular weight 100.05 g/mol. IUPAC: methyl but-3-enoate.
Chemical Property Profile of Methyl 3-butenoate
Property Insights of Methyl 3-butenoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-butenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-butenoate 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-butenoate?
The CAS number of Methyl 3-butenoate is 3724-55-8.
What is the molecular formula of Methyl 3-butenoate?
The molecular formula of Methyl 3-butenoate is C5H8O2.
What is the molecular weight of Methyl 3-butenoate?
The molecular weight of Methyl 3-butenoate is 100.05 g/mol.
Where can I buy Methyl 3-butenoate?
You can request a quote for Methyl 3-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.