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Ethyl 2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)benzoate
TL;DR: Ethyl 2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)benzoate (CAS 425617-88-5) is a chemical compound with molecular formula C17H16ClNO3S and molecular weight 349.05396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzoate
Also Known As: ethyl 2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)benzoate, ethyl 2-(2-((4-chlorophenyl)thio)acetamido)benzoate, ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzoate
Technical Specifications
| Molecular Formula | C17H16ClNO3S |
| Molecular Weight | 349.05396 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.05396 Da |
| Heavy Atoms | 23 |
| Complexity | 399.0 |
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)Cl |
| InChIKey | TWATXMASITYWSQ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)benzoate
Property Insights of Ethyl 2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 4.7 indicates that Ethyl 2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)benzoate?
The CAS number of Ethyl 2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)benzoate is 425617-88-5.
What is the molecular formula of Ethyl 2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of Ethyl 2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)benzoate is C17H16ClNO3S.
What is the molecular weight of Ethyl 2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of Ethyl 2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)benzoate is 349.05396 g/mol.
Where can I buy Ethyl 2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for Ethyl 2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)benzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.