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N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide
TL;DR: N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide (CAS 425665-36-7) is a chemical compound with molecular formula C21H16BrN3O2S and molecular weight 453.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide
Also Known As: N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide, AN-989/42002901, N-[4-({[(2-bromobenzoyl)amino]carbothioyl}amino)phenyl]benzamide, 2-bromo-N-({4-[(phenylcarbonyl)amino]phenyl}carbamothioyl)benzamide
| Molecular Formula | C21H16BrN3O2S |
|---|---|
| Molecular Weight | 453.01 g/mol |
| LogP | 4.8282 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.01465 |
| Heavy Atoms | 28 |
| Complexity | 1007.674 |
Chemical Identifiers
| CAS Number | 425665-36-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br |
Product Overview
N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide (CAS 425665-36-7), with molecular formula C21H16BrN3O2S and molecular weight 453.01 g/mol. IUPAC: N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide.
Chemical Property Profile of N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide
Property Insights of N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide
The XLogP value of 4.8282 indicates that N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide. Following Lipinski's Rule of Five, N-[(4-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
Frequently Asked Questions
What is the CAS number of N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide?
The CAS number of N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide is 425665-36-7.
What is the molecular formula of N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide?
The molecular formula of N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide is C21H16BrN3O2S.
What is the molecular weight of N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide?
The molecular weight of N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide is 453.01 g/mol.
Where can I buy N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide?
You can request a quote for N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.