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Methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)benzoate
TL;DR: Methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)benzoate (CAS 662162-76-7) is a chemical compound with molecular formula C16H14BrNO3S and molecular weight 378.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]benzoate
Also Known As: methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)benzoate, AH-487/42191997, methyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]benzoate, methyl 2-(2-((4-bromophenyl)thio)acetamido)benzoate
| Molecular Formula | C16H14BrNO3S |
|---|---|
| Molecular Weight | 378.99 g/mol |
| LogP | 3.9665 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.9878 |
| Heavy Atoms | 22 |
| Complexity | 673.34607 |
Chemical Identifiers
| CAS Number | 662162-76-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)Br |
Product Overview
Methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)benzoate (CAS 662162-76-7), with molecular formula C16H14BrNO3S and molecular weight 378.99 g/mol. IUPAC: methyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of Methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)benzoate
Property Insights of Methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 3.9665 indicates that Methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-({[(4-bromophenyl)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
Frequently Asked Questions
What is the CAS number of Methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)benzoate?
The CAS number of Methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)benzoate is 662162-76-7.
What is the molecular formula of Methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of Methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)benzoate is C16H14BrNO3S.
What is the molecular weight of Methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of Methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)benzoate is 378.99 g/mol.
Where can I buy Methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for Methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.