(E)-ethyl 2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylate
TL;DR: (E)-ethyl 2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylate (CAS 304896-33-1) is a chemical compound with molecular formula C16H12FNO3 and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoate
Also Known As: BAS 01056398, (E)-ethyl 2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylate, ethyl (2E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoate, F0350-0103, ethyl (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoate
| Molecular Formula | C16H12FNO3 |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.0801 |
| Heavy Atoms | 21 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 304896-33-1 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)F)/C#N |
| InChIKey | UJSWYBPXFWRAOO-FMIVXFBMSA-N |
Product Overview
(E)-ethyl 2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylate (CAS 304896-33-1), with molecular formula C16H12FNO3 and molecular weight 285.08 g/mol. IUPAC: ethyl (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoate.
Chemical Property Profile of (E)-ethyl 2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylate
Property Insights of (E)-ethyl 2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylate
The XLogP value of 3.4 indicates that (E)-ethyl 2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylate. Following Lipinski's Rule of Five, (E)-ethyl 2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylate has 0 hydrogen bond donor(s) and 5 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 (E)-ethyl 2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylate?
The CAS number of (E)-ethyl 2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylate is 304896-33-1.
What is the molecular formula of (E)-ethyl 2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylate?
The molecular formula of (E)-ethyl 2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylate is C16H12FNO3.
What is the molecular weight of (E)-ethyl 2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylate?
The molecular weight of (E)-ethyl 2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylate is 285.08 g/mol.
Where can I buy (E)-ethyl 2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylate?
You can request a quote for (E)-ethyl 2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.