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Ethyl 4-({[4-(methylthio)phenyl]sulfonyl}amino)benzoate
TL;DR: Ethyl 4-({[4-(methylthio)phenyl]sulfonyl}amino)benzoate (CAS 718600-29-4) is a chemical compound with molecular formula C16H17NO4S2 and molecular weight 351.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-methylsulfanylphenyl)sulfonylamino]benzoate
Also Known As: ethyl 4-({[4-(methylthio)phenyl]sulfonyl}amino)benzoate, ethyl 4-(4-(methylthio)phenylsulfonamido)benzoate, ethyl 4-[(4-methylsulfanylphenyl)sulfonylamino]benzoate, ethyl 4-({[4-(methylsulfanyl)phenyl]sulfonyl}amino)benzoate
| Molecular Formula | C16H17NO4S2 |
|---|---|
| Molecular Weight | 351.06 g/mol |
| LogP | 3.386 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.0599 |
| Heavy Atoms | 23 |
| Complexity | 768.7325 |
Chemical Identifiers
| CAS Number | 718600-29-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)SC |
Product Overview
Ethyl 4-({[4-(methylthio)phenyl]sulfonyl}amino)benzoate (CAS 718600-29-4), with molecular formula C16H17NO4S2 and molecular weight 351.06 g/mol. IUPAC: ethyl 4-[(4-methylsulfanylphenyl)sulfonylamino]benzoate.
Chemical Property Profile of Ethyl 4-({[4-(methylthio)phenyl]sulfonyl}amino)benzoate
Property Insights of Ethyl 4-({[4-(methylthio)phenyl]sulfonyl}amino)benzoate
The XLogP value of 3.386 indicates that Ethyl 4-({[4-(methylthio)phenyl]sulfonyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-({[4-(methylthio)phenyl]sulfonyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-({[4-(methylthio)phenyl]sulfonyl}amino)benzoate has 1 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-(methylthio)phenyl]sulfonyl}amino)benzoate?
The CAS number of Ethyl 4-({[4-(methylthio)phenyl]sulfonyl}amino)benzoate is 718600-29-4.
What is the molecular formula of Ethyl 4-({[4-(methylthio)phenyl]sulfonyl}amino)benzoate?
The molecular formula of Ethyl 4-({[4-(methylthio)phenyl]sulfonyl}amino)benzoate is C16H17NO4S2.
What is the molecular weight of Ethyl 4-({[4-(methylthio)phenyl]sulfonyl}amino)benzoate?
The molecular weight of Ethyl 4-({[4-(methylthio)phenyl]sulfonyl}amino)benzoate is 351.06 g/mol.
Where can I buy Ethyl 4-({[4-(methylthio)phenyl]sulfonyl}amino)benzoate?
You can request a quote for Ethyl 4-({[4-(methylthio)phenyl]sulfonyl}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-(methylthio)phenyl]sulfonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[4-(methylthio)phenyl]sulfonyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.