![ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate structure](/static/products/3449/344952-39-2.webp)
ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate
TL;DR: ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate (CAS 344952-39-2) is a chemical compound with molecular formula C23H16Cl2N2O4 and molecular weight 454.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[5-[(E)-2-cyano-3-(2,5-dichloroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
Also Known As: ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate, ethyl 4-(5-{2-cyano-2-[(2,5-dichlorophenyl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate, ethyl 4-[5-[(E)-2-cyano-3-(2,5-dichloroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate, Ethyl 4-[5-[2-cyano-2-[(2,5-dichlorophenyl)carbamoyl]ethenyl]-2-furyl]benzoate
| Molecular Formula | C23H16Cl2N2O4 |
|---|---|
| Molecular Weight | 454.05 g/mol |
| LogP | 5.97578 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.0487 |
| Heavy Atoms | 31 |
| Complexity | 1191.0306 |
Chemical Identifiers
| CAS Number | 344952-39-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=C(C=CC(=C3)Cl)Cl |
Product Overview
ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate (CAS 344952-39-2), with molecular formula C23H16Cl2N2O4 and molecular weight 454.05 g/mol. IUPAC: ethyl 4-[5-[(E)-2-cyano-3-(2,5-dichloroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate.
Chemical Property Profile of ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate
Property Insights of ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate
The XLogP value of 5.97578 indicates that ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate. Following Lipinski's Rule of Five, ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate?
The CAS number of ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate is 344952-39-2.
What is the molecular formula of ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate?
The molecular formula of ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate is C23H16Cl2N2O4.
What is the molecular weight of ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate?
The molecular weight of ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate is 454.05 g/mol.
Where can I buy ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate?
You can request a quote for ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(5-{(1E)-2-[N-(2,5-dichlorophenyl)carbamoyl]-2-cyanovinyl}-2-furyl)ben zoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.