3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid ethyl ester
TL;DR: 3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid ethyl ester (CAS 315670-98-5) is a chemical compound with molecular formula C12H14N2O5S and molecular weight 298.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-oxo-4-(4-sulfamoylanilino)but-2-enoate
Also Known As: BAS 00836200, 3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid ethyl ester, ETHYL (2E)-3-[(4-SULFAMOYLPHENYL)CARBAMOYL]PROP-2-ENOATE, ethyl (E)-4-oxo-4-(4-sulfamoylanilino)but-2-enoate, (E)-ethyl 4-oxo-4-((4-sulfamoylphenyl)amino)but-2-enoate
| Molecular Formula | C12H14N2O5S |
|---|---|
| Molecular Weight | 298.06 g/mol |
| LogP | 0.3918 |
| Topological Polar Surface Area | 115.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.06235 |
| Heavy Atoms | 20 |
| Complexity | 619.7527 |
Chemical Identifiers
| CAS Number | 315670-98-5 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)NC1=CC=C(C=C1)S(=O)(=O)N |
Product Overview
3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid ethyl ester (CAS 315670-98-5), with molecular formula C12H14N2O5S and molecular weight 298.06 g/mol. IUPAC: ethyl (E)-4-oxo-4-(4-sulfamoylanilino)but-2-enoate.
Chemical Property Profile of 3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid ethyl ester
Property Insights of 3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid ethyl ester
The XLogP value of 0.3918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid ethyl ester. The TPSA of 115.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid ethyl ester. Following Lipinski's Rule of Five, 3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid ethyl ester 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 3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid ethyl ester?
The CAS number of 3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid ethyl ester is 315670-98-5.
What is the molecular formula of 3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid ethyl ester?
The molecular formula of 3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid ethyl ester is C12H14N2O5S.
What is the molecular weight of 3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid ethyl ester?
The molecular weight of 3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid ethyl ester is 298.06 g/mol.
Where can I buy 3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid ethyl ester?
You can request a quote for 3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.