![N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide structure](/static/products/4284/428489-03-6.webp)
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide
TL;DR: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide (CAS 428489-03-6) is a chemical compound with molecular formula C22H18FN5OS and molecular weight 419.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide
Also Known As: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide, N-{[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}-3,4-dimethylbenzamide
| Molecular Formula | C22H18FN5OS |
|---|---|
| Molecular Weight | 419.12 g/mol |
| LogP | 4.30324 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.1216 |
| Heavy Atoms | 30 |
| Complexity | 1266.5094 |
Chemical Identifiers
| CAS Number | 428489-03-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)C |
Product Overview
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide (CAS 428489-03-6), with molecular formula C22H18FN5OS and molecular weight 419.12 g/mol. IUPAC: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide.
Chemical Property Profile of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide
Property Insights of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide
The XLogP value of 4.30324 indicates that N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide 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-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide. Following Lipinski's Rule of Five, N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide 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-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide?
The CAS number of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide is 428489-03-6.
What is the molecular formula of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide?
The molecular formula of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide is C22H18FN5OS.
What is the molecular weight of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide?
The molecular weight of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide is 419.12 g/mol.
Where can I buy N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide?
You can request a quote for N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide 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-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.