![N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide structure](/static/products/4067/406710-22-3.webp)
N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide
TL;DR: N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide (CAS 406710-22-3) is a chemical compound with molecular formula C17H15Cl3N4O3S and molecular weight 459.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]acetamide
Also Known As: N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide, 2-PH-N-(2,2,2-TRICHLORO-1-(((3-NITROANILINO)CARBOTHIOYL)AMINO)ETHYL)ACETAMIDE, 2-phenyl-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)acetamide, 2-Phenyl-N-[2,2,2-trichloro-1-({[(3-nitrophenyl)amino]carbonothioyl}amino)ethyl]acetamide, 2-phenyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]acetamide
| Molecular Formula | C17H15Cl3N4O3S |
|---|---|
| Molecular Weight | 459.99 g/mol |
| LogP | 3.9364 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.99304 |
| Heavy Atoms | 28 |
| Complexity | 862.22614 |
Chemical Identifiers
| CAS Number | 406710-22-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide (CAS 406710-22-3), with molecular formula C17H15Cl3N4O3S and molecular weight 459.99 g/mol. IUPAC: 2-phenyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]acetamide.
Chemical Property Profile of N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide
Property Insights of N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide
The XLogP value of 3.9364 indicates that N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide. Following Lipinski's Rule of Five, N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide has 3 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 N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide?
The CAS number of N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide is 406710-22-3.
What is the molecular formula of N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide?
The molecular formula of N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide is C17H15Cl3N4O3S.
What is the molecular weight of N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide?
The molecular weight of N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide is 459.99 g/mol.
Where can I buy N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide?
You can request a quote for N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2,2,2-Trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzeneacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.