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Methyl 4-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoate
TL;DR: Methyl 4-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoate (CAS 708244-14-8) is a chemical compound with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate
Also Known As: methyl 4-(2-((4-nitrobenzyl)thio)acetamido)benzoate, methyl 4-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoate, methyl 4-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate
| Molecular Formula | C17H16N2O5S |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 3.2533 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.078 |
| Heavy Atoms | 25 |
| Complexity | 759.6126 |
Chemical Identifiers
| CAS Number | 708244-14-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Methyl 4-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoate (CAS 708244-14-8), with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol. IUPAC: methyl 4-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoate
Property Insights of Methyl 4-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 3.2533 indicates that Methyl 4-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 4-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoate has 1 hydrogen bond donor(s) and 6 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-nitrobenzyl)sulfanyl]acetyl}amino)benzoate?
The CAS number of Methyl 4-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoate is 708244-14-8.
What is the molecular formula of Methyl 4-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of Methyl 4-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoate is C17H16N2O5S.
What is the molecular weight of Methyl 4-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of Methyl 4-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoate is 360.08 g/mol.
Where can I buy Methyl 4-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for Methyl 4-({[(4-nitrobenzyl)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 4-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.