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Ethyl 4-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate
TL;DR: Ethyl 4-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate (CAS 6167-62-0) is a chemical compound with molecular formula C17H19N3O4S2 and molecular weight 393.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-sulfamoylphenyl)methylcarbamothioylamino]benzoate
Also Known As: BAS 02232539, AB00103220-01, ethyl 4-[(4-sulfamoylphenyl)methylcarbamothioylamino]benzoate, 4-[3-(4-Sulfamoyl-benzyl)-thioureido]-benzoic acid ethyl ester, ethyl 4-(3-(4-sulfamoylbenzyl)thioureido)benzoate
| Molecular Formula | C17H19N3O4S2 |
|---|---|
| Molecular Weight | 393.08 g/mol |
| LogP | 1.9973 |
| Topological Polar Surface Area | 110.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.0817 |
| Heavy Atoms | 26 |
| Complexity | 879.22894 |
Chemical Identifiers
| CAS Number | 6167-62-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N |
Product Overview
Ethyl 4-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate (CAS 6167-62-0), with molecular formula C17H19N3O4S2 and molecular weight 393.08 g/mol. IUPAC: ethyl 4-[(4-sulfamoylphenyl)methylcarbamothioylamino]benzoate.
Chemical Property Profile of Ethyl 4-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate
Property Insights of Ethyl 4-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate
The XLogP value of 1.9973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate. The TPSA of 110.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate has 3 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-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate?
The CAS number of Ethyl 4-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate is 6167-62-0.
What is the molecular formula of Ethyl 4-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate?
The molecular formula of Ethyl 4-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate is C17H19N3O4S2.
What is the molecular weight of Ethyl 4-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate?
The molecular weight of Ethyl 4-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate is 393.08 g/mol.
Where can I buy Ethyl 4-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate?
You can request a quote for Ethyl 4-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate 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-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.