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Ethyl 4-{2-[(cyclohexylamino)carbonyl]anilino}-4-oxo-2-butenoate
TL;DR: Ethyl 4-{2-[(cyclohexylamino)carbonyl]anilino}-4-oxo-2-butenoate (CAS 1164541-31-4) is a chemical compound with molecular formula C19H24N2O4 and molecular weight 344.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-[2-(cyclohexylcarbamoyl)anilino]-4-oxobut-2-enoate
Also Known As: ethyl 4-{2-[(cyclohexylamino)carbonyl]anilino}-4-oxo-2-butenoate, AN-329/42613165, ethyl (E)-4-[2-(cyclohexylcarbamoyl)anilino]-4-oxobut-2-enoate, ethyl (2E)-4-{[2-(cyclohexylcarbamoyl)phenyl]amino}-4-oxobut-2-enoate, ethyl 4-({2-[(cyclohexylamino)carbonyl]phenyl}amino)-4-oxo-2-butenoate
| Molecular Formula | C19H24N2O4 |
|---|---|
| Molecular Weight | 344.17 g/mol |
| LogP | 2.8069 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.1736 |
| Heavy Atoms | 25 |
| Complexity | 648.5791 |
Chemical Identifiers
| CAS Number | 1164541-31-4 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)NC1=CC=CC=C1C(=O)NC2CCCCC2 |
Product Overview
Ethyl 4-{2-[(cyclohexylamino)carbonyl]anilino}-4-oxo-2-butenoate (CAS 1164541-31-4), with molecular formula C19H24N2O4 and molecular weight 344.17 g/mol. IUPAC: ethyl (E)-4-[2-(cyclohexylcarbamoyl)anilino]-4-oxobut-2-enoate.
Chemical Property Profile of Ethyl 4-{2-[(cyclohexylamino)carbonyl]anilino}-4-oxo-2-butenoate
Property Insights of Ethyl 4-{2-[(cyclohexylamino)carbonyl]anilino}-4-oxo-2-butenoate
The XLogP value of 2.8069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{2-[(cyclohexylamino)carbonyl]anilino}-4-oxo-2-butenoate. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{2-[(cyclohexylamino)carbonyl]anilino}-4-oxo-2-butenoate. Following Lipinski's Rule of Five, Ethyl 4-{2-[(cyclohexylamino)carbonyl]anilino}-4-oxo-2-butenoate has 2 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 Ethyl 4-{2-[(cyclohexylamino)carbonyl]anilino}-4-oxo-2-butenoate?
The CAS number of Ethyl 4-{2-[(cyclohexylamino)carbonyl]anilino}-4-oxo-2-butenoate is 1164541-31-4.
What is the molecular formula of Ethyl 4-{2-[(cyclohexylamino)carbonyl]anilino}-4-oxo-2-butenoate?
The molecular formula of Ethyl 4-{2-[(cyclohexylamino)carbonyl]anilino}-4-oxo-2-butenoate is C19H24N2O4.
What is the molecular weight of Ethyl 4-{2-[(cyclohexylamino)carbonyl]anilino}-4-oxo-2-butenoate?
The molecular weight of Ethyl 4-{2-[(cyclohexylamino)carbonyl]anilino}-4-oxo-2-butenoate is 344.17 g/mol.
Where can I buy Ethyl 4-{2-[(cyclohexylamino)carbonyl]anilino}-4-oxo-2-butenoate?
You can request a quote for Ethyl 4-{2-[(cyclohexylamino)carbonyl]anilino}-4-oxo-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{2-[(cyclohexylamino)carbonyl]anilino}-4-oxo-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{2-[(cyclohexylamino)carbonyl]anilino}-4-oxo-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.