![Methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate structure](/static/products/5164/516457-50-4.webp)
Methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate
TL;DR: Methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate (CAS 516457-50-4) 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.
methyl 2-[4-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]phenyl]acetate
Also Known As: methyl 2-(4-(3-(4-sulfamoylphenethyl)thioureido)phenyl)acetate, methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate, methyl 2-[4-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]phenyl]acetate, METHYL 2-[4-({[2-(4-SULFAMOYLPHENYL)ETHYL]CARBAMOTHIOYL}AMINO)PHENYL]ACETATE
| Molecular Formula | C18H21N3O4S2 |
|---|---|
| Molecular Weight | 407.10 g/mol |
| LogP | 1.5786 |
| 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 | 516457-50-4 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N |
Product Overview
Methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate (CAS 516457-50-4), with molecular formula C18H21N3O4S2 and molecular weight 407.10 g/mol. IUPAC: methyl 2-[4-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]phenyl]acetate.
Chemical Property Profile of Methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate
Property Insights of Methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate
The XLogP value of 1.5786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate. The TPSA of 110.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate. Following Lipinski's Rule of Five, Methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate 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 Methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate?
The CAS number of Methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate is 516457-50-4.
What is the molecular formula of Methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate?
The molecular formula of Methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate is C18H21N3O4S2.
What is the molecular weight of Methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate?
The molecular weight of Methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate is 407.10 g/mol.
Where can I buy Methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate?
You can request a quote for Methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [4-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)phenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.