![N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide structure](/static/products/3812/381204-54-2.webp)
N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide
TL;DR: N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide (CAS 381204-54-2) is a chemical compound with molecular formula C21H16BrN3O2S and molecular weight 453.01465 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide
Also Known As: N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide, N-((3-benzamidophenyl)carbamothioyl)-2-bromobenzamide, N-[(3-benzamidophenyl)thiocarbamoyl]-2-bromo-benzamide, 2-bromo-N-({3-[(phenylcarbonyl)amino]phenyl}carbamothioyl)benzamide
Technical Specifications
| Molecular Formula | C21H16BrN3O2S |
| Molecular Weight | 453.01465 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.01465 Da |
| Heavy Atoms | 28 |
| Complexity | 568.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3Br |
| InChIKey | XKFQRHBPLMUWTO-UHFFFAOYSA-N |
Chemical Property Profile of N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide
Property Insights of N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide
The XLogP value of 5.0 indicates that N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide. Following Lipinski's Rule of Five, N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide?
The CAS number of N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide is 381204-54-2.
What is the molecular formula of N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide?
The molecular formula of N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide is C21H16BrN3O2S.
What is the molecular weight of N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide?
The molecular weight of N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide is 453.01465 g/mol.
Where can I buy N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide?
You can request a quote for N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide?
Yes, CoreyChem provides custom synthesis services for N-[(3-benzamidophenyl)carbamothioyl]-2-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.