![Methyl 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate structure](/static/products/4325/432508-63-9.webp)
Methyl 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate
TL;DR: Methyl 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate (CAS 432508-63-9) is a chemical compound with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methyl-3-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate
Also Known As: AH-487/40936562, methyl 4-methyl-3-(2-((4-nitrobenzyl)thio)acetamido)benzoate, methyl 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate, methyl 4-methyl-3-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoate, methyl 4-methyl-3-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate
| Molecular Formula | C18H18N2O5S |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 3.56172 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.09363 |
| Heavy Atoms | 26 |
| Complexity | 820.83124 |
Chemical Identifiers
| CAS Number | 432508-63-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Methyl 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate (CAS 432508-63-9), with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol. IUPAC: methyl 4-methyl-3-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Methyl 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate
Property Insights of Methyl 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate
The XLogP value of 3.56172 indicates that Methyl 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate 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 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate. Following Lipinski's Rule of Five, Methyl 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate 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 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate?
The CAS number of Methyl 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate is 432508-63-9.
What is the molecular formula of Methyl 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate?
The molecular formula of Methyl 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate is C18H18N2O5S.
What is the molecular weight of Methyl 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate?
The molecular weight of Methyl 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate is 374.09 g/mol.
Where can I buy Methyl 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate?
You can request a quote for Methyl 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[({4-nitrobenzyl}sulfanyl)acetyl]amino}-4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.