![Methyl {4-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)amino]phenyl}acetate structure](/static/products/5164/516457-46-8.webp)
Methyl {4-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)amino]phenyl}acetate
TL;DR: Methyl {4-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)amino]phenyl}acetate (CAS 516457-46-8) 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.
methyl 2-[4-[(4-sulfamoylphenyl)methylcarbamothioylamino]phenyl]acetate
Also Known As: methyl {4-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)amino]phenyl}acetate, methyl 2-(4-(3-(4-sulfamoylbenzyl)thioureido)phenyl)acetate, methyl (4-{[(4-sulfamoylbenzyl)carbamothioyl]amino}phenyl)acetate, methyl 2-[4-[(4-sulfamoylphenyl)methylcarbamothioylamino]phenyl]acetate, METHYL 2-[4-({[(4-SULFAMOYLPHENYL)METHYL]CARBAMOTHIOYL}AMINO)PHENYL]ACETATE
| Molecular Formula | C17H19N3O4S2 |
|---|---|
| Molecular Weight | 393.08 g/mol |
| LogP | 1.5361 |
| 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 | 516457-46-8 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N |
Product Overview
Methyl {4-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)amino]phenyl}acetate (CAS 516457-46-8), with molecular formula C17H19N3O4S2 and molecular weight 393.08 g/mol. IUPAC: methyl 2-[4-[(4-sulfamoylphenyl)methylcarbamothioylamino]phenyl]acetate.
Chemical Property Profile of Methyl {4-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)amino]phenyl}acetate
Property Insights of Methyl {4-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)amino]phenyl}acetate
The XLogP value of 1.5361 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl {4-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)amino]phenyl}acetate. The TPSA of 110.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl {4-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)amino]phenyl}acetate. Following Lipinski's Rule of Five, Methyl {4-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)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-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)amino]phenyl}acetate?
The CAS number of Methyl {4-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)amino]phenyl}acetate is 516457-46-8.
What is the molecular formula of Methyl {4-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)amino]phenyl}acetate?
The molecular formula of Methyl {4-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)amino]phenyl}acetate is C17H19N3O4S2.
What is the molecular weight of Methyl {4-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)amino]phenyl}acetate?
The molecular weight of Methyl {4-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)amino]phenyl}acetate is 393.08 g/mol.
Where can I buy Methyl {4-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)amino]phenyl}acetate?
You can request a quote for Methyl {4-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)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-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)amino]phenyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl {4-[({[4-(aminosulfonyl)benzyl]amino}carbonothioyl)amino]phenyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.