![Methyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate structure](/static/products/824/824418-23-7.png)
Methyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate
TL;DR: Methyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate (CAS 824418-23-7) is a chemical compound with molecular formula C15H13N3O5S and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(5-nitro-2-pyridinyl)sulfanyl]acetyl]amino]benzoate
Also Known As: Methyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate, methyl 2-(2-((5-nitropyridin-2-yl)thio)acetamido)benzoate, methyl 2-({[(5-nitropyridin-2-yl)sulfanyl]acetyl}amino)benzoate
| Molecular Formula | C15H13N3O5S |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 2.5072 |
| Topological Polar Surface Area | 111.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.0576 |
| Heavy Atoms | 24 |
| Complexity | 763.9598 |
Chemical Identifiers
| CAS Number | 824418-23-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=C(C=C2)[N+](=O)[O-] |
Product Overview
Methyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate (CAS 824418-23-7), with molecular formula C15H13N3O5S and molecular weight 347.06 g/mol. IUPAC: methyl 2-[[2-[(5-nitro-2-pyridinyl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Methyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate
Property Insights of Methyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate
The XLogP value of 2.5072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate. The TPSA of 111.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate has 1 hydrogen bond donor(s) and 7 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-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate?
The CAS number of Methyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate is 824418-23-7.
What is the molecular formula of Methyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate?
The molecular formula of Methyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate is C15H13N3O5S.
What is the molecular weight of Methyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate?
The molecular weight of Methyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate is 347.06 g/mol.
Where can I buy Methyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate?
You can request a quote for Methyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]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-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.