Crotonic acid, 4-fluoro-, methyl ester
TL;DR: Crotonic acid, 4-fluoro-, methyl ester (CAS 2367-25-1) is a chemical compound with molecular formula C5H7FO2 and molecular weight 118.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-fluorobut-2-enoate
Also Known As: Methyl gamma-fluorocrotonate, methyl (E)-4-fluorobut-2-enoate, 4-Fluoro-2-butenoic acid methyl ester, methyl 4-fluorobut-2-enoate, METHYL (2E)-4-FLUOROBUT-2-ENOATE
| Molecular Formula | C5H7FO2 |
|---|---|
| Molecular Weight | 118.04 g/mol |
| LogP | 0.6851 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.04301 |
| Heavy Atoms | 8 |
| Complexity | 98.60179 |
Chemical Identifiers
| CAS Number | 2367-25-1 |
|---|---|
| SMILES | COC(=O)/C=C/CF |
Product Overview
Crotonic acid, 4-fluoro-, methyl ester (CAS 2367-25-1), with molecular formula C5H7FO2 and molecular weight 118.04 g/mol. IUPAC: methyl (E)-4-fluorobut-2-enoate.
Chemical Property Profile of Crotonic acid, 4-fluoro-, methyl ester
Property Insights of Crotonic acid, 4-fluoro-, methyl ester
The XLogP value of 0.6851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crotonic acid, 4-fluoro-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Crotonic acid, 4-fluoro-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crotonic acid, 4-fluoro-, methyl ester 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 Crotonic acid, 4-fluoro-, methyl ester?
The CAS number of Crotonic acid, 4-fluoro-, methyl ester is 2367-25-1.
What is the molecular formula of Crotonic acid, 4-fluoro-, methyl ester?
The molecular formula of Crotonic acid, 4-fluoro-, methyl ester is C5H7FO2.
What is the molecular weight of Crotonic acid, 4-fluoro-, methyl ester?
The molecular weight of Crotonic acid, 4-fluoro-, methyl ester is 118.04 g/mol.
Where can I buy Crotonic acid, 4-fluoro-, methyl ester?
You can request a quote for Crotonic acid, 4-fluoro-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonic acid, 4-fluoro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Crotonic acid, 4-fluoro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.