Methyl Crotonate
TL;DR: Methyl Crotonate (CAS 4358-59-2) 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 (E)-but-2-enoate
Also Known As: Methyl crotonate, trans-Methyl crotonate, Methyl E-crotonate, Methyl 2-butenoate, methylcrotonate
| 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 | 2 |
| Exact Mass | 100.05243 |
| Heavy Atoms | 7 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 4358-59-2 |
|---|---|
| SMILES | C/C=C/C(=O)OC |
| InChIKey | MCVVUJPXSBQTRZ-ONEGZZNKSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl Crotonate (CAS 4358-59-2), with molecular formula C5H8O2 and molecular weight 100.05 g/mol. IUPAC: methyl (E)-but-2-enoate.
Chemical Property Profile of Methyl Crotonate
Property Insights of Methyl Crotonate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl Crotonate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl Crotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl Crotonate 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 Crotonate?
The CAS number of Methyl Crotonate is 4358-59-2.
What is the molecular formula of Methyl Crotonate?
The molecular formula of Methyl Crotonate is C5H8O2.
What is the molecular weight of Methyl Crotonate?
The molecular weight of Methyl Crotonate is 100.05 g/mol.
Where can I buy Methyl Crotonate?
You can request a quote for Methyl Crotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl Crotonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl Crotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.