![Ethyl 4-{4-[(4-fluoroanilino)sulfonyl]anilino}-4-oxo-2-butenoate structure](/static/products/327/327067-92-5.png)
Ethyl 4-{4-[(4-fluoroanilino)sulfonyl]anilino}-4-oxo-2-butenoate
TL;DR: Ethyl 4-{4-[(4-fluoroanilino)sulfonyl]anilino}-4-oxo-2-butenoate (CAS 327067-92-5) is a chemical compound with molecular formula C18H17FN2O5S and molecular weight 392.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobut-2-enoate
Also Known As: AN-329/15333025, ethyl 4-{4-[(4-fluoroanilino)sulfonyl]anilino}-4-oxo-2-butenoate, ethyl (E)-4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobut-2-enoate, ethyl 4-[(4-{[(4-fluorophenyl)amino]sulfonyl}phenyl)amino]-4-oxo-2-butenoate, ethyl (2E)-4-({4-[(4-fluorophenyl)sulfamoyl]phenyl}amino)-4-oxobut-2-enoate
| Molecular Formula | C18H17FN2O5S |
|---|---|
| Molecular Weight | 392.08 g/mol |
| LogP | 2.6843 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.08423 |
| Heavy Atoms | 27 |
| Complexity | 938.7222 |
Chemical Identifiers
| CAS Number | 327067-92-5 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F |
Product Overview
Ethyl 4-{4-[(4-fluoroanilino)sulfonyl]anilino}-4-oxo-2-butenoate (CAS 327067-92-5), with molecular formula C18H17FN2O5S and molecular weight 392.08 g/mol. IUPAC: ethyl (E)-4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobut-2-enoate.
Chemical Property Profile of Ethyl 4-{4-[(4-fluoroanilino)sulfonyl]anilino}-4-oxo-2-butenoate
Property Insights of Ethyl 4-{4-[(4-fluoroanilino)sulfonyl]anilino}-4-oxo-2-butenoate
The XLogP value of 2.6843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{4-[(4-fluoroanilino)sulfonyl]anilino}-4-oxo-2-butenoate. The TPSA of 101.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{4-[(4-fluoroanilino)sulfonyl]anilino}-4-oxo-2-butenoate. Following Lipinski's Rule of Five, Ethyl 4-{4-[(4-fluoroanilino)sulfonyl]anilino}-4-oxo-2-butenoate has 2 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 Ethyl 4-{4-[(4-fluoroanilino)sulfonyl]anilino}-4-oxo-2-butenoate?
The CAS number of Ethyl 4-{4-[(4-fluoroanilino)sulfonyl]anilino}-4-oxo-2-butenoate is 327067-92-5.
What is the molecular formula of Ethyl 4-{4-[(4-fluoroanilino)sulfonyl]anilino}-4-oxo-2-butenoate?
The molecular formula of Ethyl 4-{4-[(4-fluoroanilino)sulfonyl]anilino}-4-oxo-2-butenoate is C18H17FN2O5S.
What is the molecular weight of Ethyl 4-{4-[(4-fluoroanilino)sulfonyl]anilino}-4-oxo-2-butenoate?
The molecular weight of Ethyl 4-{4-[(4-fluoroanilino)sulfonyl]anilino}-4-oxo-2-butenoate is 392.08 g/mol.
Where can I buy Ethyl 4-{4-[(4-fluoroanilino)sulfonyl]anilino}-4-oxo-2-butenoate?
You can request a quote for Ethyl 4-{4-[(4-fluoroanilino)sulfonyl]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-{4-[(4-fluoroanilino)sulfonyl]anilino}-4-oxo-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{4-[(4-fluoroanilino)sulfonyl]anilino}-4-oxo-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.