Methyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate
TL;DR: Methyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate (CAS 153816-50-3) is a chemical compound with molecular formula C11H8FNO2 and molecular weight 205.05391 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate
Also Known As: methyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate, 2-Cyano-3-(4-fluoro-phenyl)-acrylic acid methyl ester
Technical Specifications
| Molecular Formula | C11H8FNO2 |
| Molecular Weight | 205.05391 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.05391 Da |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
| SMILES | COC(=O)C(=CC1=CC=C(C=C1)F)C#N |
| InChIKey | CBZGEXCAQXBPFY-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate
Property Insights of Methyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate. With a topological polar surface area (TPSA) of 50.1 Ų, Methyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate 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
What is the CAS number of Methyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate?
The CAS number of Methyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate is 153816-50-3.
What is the molecular formula of Methyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate?
The molecular formula of Methyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate is C11H8FNO2.
What is the molecular weight of Methyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate?
The molecular weight of Methyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate is 205.05391 g/mol.
Where can I buy Methyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate?
You can request a quote for Methyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.