2-Cyano-3-(3-fluoro-phenyl)-acrylic acid ethyl ester
TL;DR: 2-Cyano-3-(3-fluoro-phenyl)-acrylic acid ethyl ester (CAS 19310-52-2) is a chemical compound with molecular formula C12H10FNO2 and molecular weight 219.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(3-fluorophenyl)prop-2-enoate
Also Known As: ethyl 2-cyano-3-(3-fluorophenyl)prop-2-enoate, 2-Cyano-3-(3-fluoro-phenyl)-acrylic acid ethyl ester, 2-Cyano-3-(3-fluorophenyl)acrylic acid ethyl ester, 2-Cyano-3-(3-fluorophenyl)-acrylic acid ethyl ester, ethyl (2Z)-2-cyano-3-(3-fluorophenyl)prop-2-enoate
| Molecular Formula | C12H10FNO2 |
|---|---|
| Molecular Weight | 219.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.06955 |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 19310-52-2 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC(=CC=C1)F)C#N |
| InChIKey | KRAONHPSLKXRMO-UHFFFAOYSA-N |
Product Overview
2-Cyano-3-(3-fluoro-phenyl)-acrylic acid ethyl ester (CAS 19310-52-2), with molecular formula C12H10FNO2 and molecular weight 219.07 g/mol. IUPAC: ethyl 2-cyano-3-(3-fluorophenyl)prop-2-enoate.
Chemical Property Profile of 2-Cyano-3-(3-fluoro-phenyl)-acrylic acid ethyl ester
Property Insights of 2-Cyano-3-(3-fluoro-phenyl)-acrylic acid ethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-(3-fluoro-phenyl)-acrylic acid ethyl ester. With a topological polar surface area (TPSA) of 50.1 Ų, 2-Cyano-3-(3-fluoro-phenyl)-acrylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyano-3-(3-fluoro-phenyl)-acrylic acid ethyl ester has 0 hydrogen bond donor(s) and 4 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 2-Cyano-3-(3-fluoro-phenyl)-acrylic acid ethyl ester?
The CAS number of 2-Cyano-3-(3-fluoro-phenyl)-acrylic acid ethyl ester is 19310-52-2.
What is the molecular formula of 2-Cyano-3-(3-fluoro-phenyl)-acrylic acid ethyl ester?
The molecular formula of 2-Cyano-3-(3-fluoro-phenyl)-acrylic acid ethyl ester is C12H10FNO2.
What is the molecular weight of 2-Cyano-3-(3-fluoro-phenyl)-acrylic acid ethyl ester?
The molecular weight of 2-Cyano-3-(3-fluoro-phenyl)-acrylic acid ethyl ester is 219.07 g/mol.
Where can I buy 2-Cyano-3-(3-fluoro-phenyl)-acrylic acid ethyl ester?
You can request a quote for 2-Cyano-3-(3-fluoro-phenyl)-acrylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-(3-fluoro-phenyl)-acrylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-(3-fluoro-phenyl)-acrylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.