![2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide structure](/static/products/4256/425678-79-1.webp)
2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide
TL;DR: 2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide (CAS 425678-79-1) is a chemical compound with molecular formula C20H13BrClN5OS and molecular weight 484.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide
Also Known As: 2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide, 2-bromo-N-{[2-(4-chlorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide, 2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]thiocarbamoyl]benzamide, 1-(2-BROMOBENZOYL)-3-[2-(4-CHLOROPHENYL)-1,2,3-BENZOTRIAZOL-5-YL]THIOUREA, 2-bromo-N-((2-(4-chlorophenyl)-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)benzamide
| Molecular Formula | C20H13BrClN5OS |
|---|---|
| Molecular Weight | 484.97 g/mol |
| LogP | 4.9632 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 484.97128 |
| Heavy Atoms | 29 |
| Complexity | 1225.2639 |
Chemical Identifiers
| CAS Number | 425678-79-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)Cl)Br |
Product Overview
2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide (CAS 425678-79-1), with molecular formula C20H13BrClN5OS and molecular weight 484.97 g/mol. IUPAC: 2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide.
Chemical Property Profile of 2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide
Property Insights of 2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide
The XLogP value of 4.9632 indicates that 2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide has 2 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 2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
The CAS number of 2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide is 425678-79-1.
What is the molecular formula of 2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
The molecular formula of 2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide is C20H13BrClN5OS.
What is the molecular weight of 2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
The molecular weight of 2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide is 484.97 g/mol.
Where can I buy 2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
You can request a quote for 2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.