![2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide structure](/static/products/6429/642951-66-4.webp)
2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide
TL;DR: 2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide (CAS 642951-66-4) is a chemical compound with molecular formula C21H16N4O4S and molecular weight 420.08923 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide
Also Known As: 2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide, 2-[(3-nitrobenzoyl)thiocarbamoylamino]-N-phenyl-benzamide, 2-({[(3-nitrobenzoyl)amino]carbonothioyl}amino)-N-phenylbenzamide, 2-({[(3-nitrophenyl)carbonyl]carbamothioyl}amino)-N-phenylbenzamide
Technical Specifications
| Molecular Formula | C21H16N4O4S |
| Molecular Weight | 420.08923 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.08923 Da |
| Heavy Atoms | 30 |
| Complexity | 647.0 |
| SMILES | C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | VCUMQBWUEULJNT-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide
Property Insights of 2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide
The XLogP value of 4.2 indicates that 2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting 2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide?
The CAS number of 2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide is 642951-66-4.
What is the molecular formula of 2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide?
The molecular formula of 2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide is C21H16N4O4S.
What is the molecular weight of 2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide?
The molecular weight of 2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide is 420.08923 g/mol.
Where can I buy 2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide?
You can request a quote for 2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide?
Yes, CoreyChem provides custom synthesis services for 2-[(3-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.