Ethyl 2-fluoro-3-(4-methylphenyl)acrylate
TL;DR: Ethyl 2-fluoro-3-(4-methylphenyl)acrylate (CAS 26927-86-6) is a chemical compound with molecular formula C12H13FO2 and molecular weight 208.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoate
Also Known As: Ethyl 2-fluoro-3-(4-methylphenyl)acrylate, Ethyl .alpha.-fluoro-4-methyl-cinnamate, 4-Methyl-alpha-fluorocinnamic acid ethyl ester, ethyl (Z)-2-fluoro-3-(p-tolyl)prop-2-enoate, alpha-Fluoro-4-methyl-trans-cinnamic acid ethyl ester
| Molecular Formula | C12H13FO2 |
|---|---|
| Molecular Weight | 208.09 g/mol |
| LogP | 2.86852 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.08995 |
| Heavy Atoms | 15 |
| Complexity | 365.71344 |
Chemical Identifiers
| CAS Number | 26927-86-6 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC=C(C=C1)C)/F |
Product Overview
Ethyl 2-fluoro-3-(4-methylphenyl)acrylate (CAS 26927-86-6), with molecular formula C12H13FO2 and molecular weight 208.09 g/mol. IUPAC: ethyl (Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 2-fluoro-3-(4-methylphenyl)acrylate
Property Insights of Ethyl 2-fluoro-3-(4-methylphenyl)acrylate
The XLogP value of 2.86852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-fluoro-3-(4-methylphenyl)acrylate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-fluoro-3-(4-methylphenyl)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-fluoro-3-(4-methylphenyl)acrylate 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 Ethyl 2-fluoro-3-(4-methylphenyl)acrylate?
The CAS number of Ethyl 2-fluoro-3-(4-methylphenyl)acrylate is 26927-86-6.
What is the molecular formula of Ethyl 2-fluoro-3-(4-methylphenyl)acrylate?
The molecular formula of Ethyl 2-fluoro-3-(4-methylphenyl)acrylate is C12H13FO2.
What is the molecular weight of Ethyl 2-fluoro-3-(4-methylphenyl)acrylate?
The molecular weight of Ethyl 2-fluoro-3-(4-methylphenyl)acrylate is 208.09 g/mol.
Where can I buy Ethyl 2-fluoro-3-(4-methylphenyl)acrylate?
You can request a quote for Ethyl 2-fluoro-3-(4-methylphenyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-fluoro-3-(4-methylphenyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-fluoro-3-(4-methylphenyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.