![N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide structure](/static/products/4304/430446-50-7.webp)
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide
TL;DR: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide (CAS 430446-50-7) is a chemical compound with molecular formula C21H15FN6O3S and molecular weight 450.09 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]-2-methyl-3-nitrobenzamide
Also Known As: AB00112558-01, N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide, N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]-2-methyl-3-nitro-benzamide, N-{[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}-2-methyl-3-nitrobenzamide
| Molecular Formula | C21H15FN6O3S |
|---|---|
| Molecular Weight | 450.09 g/mol |
| LogP | 3.90302 |
| Topological Polar Surface Area | 114.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.09103 |
| Heavy Atoms | 32 |
| Complexity | 1369.9802 |
Chemical Identifiers
| CAS Number | 430446-50-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F |
Product Overview
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide (CAS 430446-50-7), with molecular formula C21H15FN6O3S and molecular weight 450.09 g/mol. IUPAC: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide.
Chemical Property Profile of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide
Property Insights of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide
The XLogP value of 3.90302 indicates that N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.98 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide has 2 hydrogen bond donor(s) and 6 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]-2-methyl-3-nitrobenzamide?
The CAS number of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide is 430446-50-7.
What is the molecular formula of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide?
The molecular formula of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide is C21H15FN6O3S.
What is the molecular weight of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide?
The molecular weight of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide is 450.09 g/mol.
Where can I buy N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide?
You can request a quote for N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide 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]-2-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.