![N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide structure](/static/products/3787/378761-74-1.webp)
N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide
TL;DR: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide (CAS 378761-74-1) is a chemical compound with molecular formula C20H13ClFN5OS and molecular weight 425.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide
Also Known As: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide, N-[[2-(4-chlorophenyl)benzotriazol-5-yl]thiocarbamoyl]-4-fluoro-benzamide, N-((2-(4-chlorophenyl)-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-fluorobenzamide, N-{[2-(4-chlorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}-4-fluorobenzamide
| Molecular Formula | C20H13ClFN5OS |
|---|---|
| Molecular Weight | 425.05 g/mol |
| LogP | 4.3398 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.05133 |
| Heavy Atoms | 29 |
| Complexity | 1208.0139 |
Chemical Identifiers
| CAS Number | 378761-74-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)Cl)F |
Product Overview
N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide (CAS 378761-74-1), with molecular formula C20H13ClFN5OS and molecular weight 425.05 g/mol. IUPAC: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide.
Chemical Property Profile of N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide
Property Insights of N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide
The XLogP value of 4.3398 indicates that N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide 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 N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide. Following Lipinski's Rule of Five, N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide 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 N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide?
The CAS number of N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide is 378761-74-1.
What is the molecular formula of N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide?
The molecular formula of N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide is C20H13ClFN5OS.
What is the molecular weight of N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide?
The molecular weight of N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide is 425.05 g/mol.
Where can I buy N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide?
You can request a quote for N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.