Ethyl 4-(3-(4-sulfamoylphenethyl)thioureido)benzoate
TL;DR: Ethyl 4-(3-(4-sulfamoylphenethyl)thioureido)benzoate (CAS 351060-63-4) is a chemical compound with molecular formula C18H21N3O4S2 and molecular weight 407.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]benzoate
Also Known As: BAS 02232540, AB00104632-01, ethyl 4-(3-(4-sulfamoylphenethyl)thioureido)benzoate, ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]benzoate, ethyl 4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)benzoate
| Molecular Formula | C18H21N3O4S2 |
|---|---|
| Molecular Weight | 407.10 g/mol |
| LogP | 2.0398 |
| Topological Polar Surface Area | 110.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.09735 |
| Heavy Atoms | 27 |
| Complexity | 895.2089 |
Chemical Identifiers
| CAS Number | 351060-63-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N |
Product Overview
Ethyl 4-(3-(4-sulfamoylphenethyl)thioureido)benzoate (CAS 351060-63-4), with molecular formula C18H21N3O4S2 and molecular weight 407.10 g/mol. IUPAC: ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]benzoate.
Chemical Property Profile of Ethyl 4-(3-(4-sulfamoylphenethyl)thioureido)benzoate
Property Insights of Ethyl 4-(3-(4-sulfamoylphenethyl)thioureido)benzoate
The XLogP value of 2.0398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3-(4-sulfamoylphenethyl)thioureido)benzoate. The TPSA of 110.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(3-(4-sulfamoylphenethyl)thioureido)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(3-(4-sulfamoylphenethyl)thioureido)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-(3-(4-sulfamoylphenethyl)thioureido)benzoate?
The CAS number of Ethyl 4-(3-(4-sulfamoylphenethyl)thioureido)benzoate is 351060-63-4.
What is the molecular formula of Ethyl 4-(3-(4-sulfamoylphenethyl)thioureido)benzoate?
The molecular formula of Ethyl 4-(3-(4-sulfamoylphenethyl)thioureido)benzoate is C18H21N3O4S2.
What is the molecular weight of Ethyl 4-(3-(4-sulfamoylphenethyl)thioureido)benzoate?
The molecular weight of Ethyl 4-(3-(4-sulfamoylphenethyl)thioureido)benzoate is 407.10 g/mol.
Where can I buy Ethyl 4-(3-(4-sulfamoylphenethyl)thioureido)benzoate?
You can request a quote for Ethyl 4-(3-(4-sulfamoylphenethyl)thioureido)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-(3-(4-sulfamoylphenethyl)thioureido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-(4-sulfamoylphenethyl)thioureido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.