2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide
TL;DR: 2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide (CAS 428825-94-9) is a chemical compound with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide
Also Known As: 2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide, 2-(4-acetyl-2-nitrophenylthio)-N-phenylacetamide, 2-[(4-acetyl-2-nitrophenyl)sulfanyl]-N-phenylacetamide, 2-(4-Acetyl-2-nitro-phenylsulfanyl)-N-phenyl-acetamide, A2679/0114183
| Molecular Formula | C16H14N2O4S |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.0674 |
| Heavy Atoms | 23 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 428825-94-9 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)SCC(=O)NC2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | PIJGWRHAOOTLBB-UHFFFAOYSA-N |
Product Overview
2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide (CAS 428825-94-9), with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol. IUPAC: 2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide.
Chemical Property Profile of 2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide
Property Insights of 2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide. Following Lipinski's Rule of Five, 2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide has 1 hydrogen bond donor(s) and 5 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 2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide?
The CAS number of 2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide is 428825-94-9.
What is the molecular formula of 2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide?
The molecular formula of 2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide is C16H14N2O4S.
What is the molecular weight of 2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide?
The molecular weight of 2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide is 330.07 g/mol.
Where can I buy 2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide?
You can request a quote for 2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-acetyl-2-nitrophenyl)sulfanyl-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.