(E)-ethyl 4-(5-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)furan-2-yl)benzoate
TL;DR: (E)-ethyl 4-(5-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)furan-2-yl)benzoate (CAS 313251-52-4) is a chemical compound with molecular formula C24H20N2O4 and molecular weight 400.14 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-(3-methylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
Also Known As: (E)-ethyl 4-(5-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)furan-2-yl)benzoate, ETHYL 4-{5-[(1E)-2-CYANO-2-[(3-METHYLPHENYL)CARBAMOYL]ETH-1-EN-1-YL]FURAN-2-YL}BENZOATE, F0011-0163, ethyl 4-[5-[(E)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
| Molecular Formula | C24H20N2O4 |
|---|---|
| Molecular Weight | 400.14 g/mol |
| LogP | 4.9774 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.1423 |
| Heavy Atoms | 30 |
| Complexity | 1134.5127 |
Chemical Identifiers
| CAS Number | 313251-52-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=CC(=C3)C |
Product Overview
(E)-ethyl 4-(5-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)furan-2-yl)benzoate (CAS 313251-52-4), with molecular formula C24H20N2O4 and molecular weight 400.14 g/mol. IUPAC: ethyl 4-[5-[(E)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate.
Chemical Property Profile of (E)-ethyl 4-(5-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)furan-2-yl)benzoate
Property Insights of (E)-ethyl 4-(5-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)furan-2-yl)benzoate
The XLogP value of 4.9774 indicates that (E)-ethyl 4-(5-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)furan-2-yl)benzoate 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 (E)-ethyl 4-(5-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)furan-2-yl)benzoate. Following Lipinski's Rule of Five, (E)-ethyl 4-(5-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)furan-2-yl)benzoate has 1 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 4-(5-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)furan-2-yl)benzoate?
The CAS number of (E)-ethyl 4-(5-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)furan-2-yl)benzoate is 313251-52-4.
What is the molecular formula of (E)-ethyl 4-(5-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)furan-2-yl)benzoate?
The molecular formula of (E)-ethyl 4-(5-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)furan-2-yl)benzoate is C24H20N2O4.
What is the molecular weight of (E)-ethyl 4-(5-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)furan-2-yl)benzoate?
The molecular weight of (E)-ethyl 4-(5-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)furan-2-yl)benzoate is 400.14 g/mol.
Where can I buy (E)-ethyl 4-(5-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)furan-2-yl)benzoate?
You can request a quote for (E)-ethyl 4-(5-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)furan-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 4-(5-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)furan-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-(5-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)furan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.