![N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide structure](/static/products/4284/428485-87-4.webp)
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide
TL;DR: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide (CAS 428485-87-4) is a chemical compound with molecular formula C20H13FN6O3S and molecular weight 436.08 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-nitrobenzamide
Also Known As: AB00108674-01, N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide, N-{[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}-2-nitrobenzamide, N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]-2-nitro-benzamide, 3-[2-(4-FLUOROPHENYL)-1,2,3-BENZOTRIAZOL-5-YL]-1-(2-NITROBENZOYL)THIOUREA
| Molecular Formula | C20H13FN6O3S |
|---|---|
| Molecular Weight | 436.08 g/mol |
| LogP | 3.5946 |
| Topological Polar Surface Area | 114.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.07538 |
| Heavy Atoms | 31 |
| Complexity | 1322.2567 |
Chemical Identifiers
| CAS Number | 428485-87-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)[N+](=O)[O-] |
Product Overview
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide (CAS 428485-87-4), with molecular formula C20H13FN6O3S and molecular weight 436.08 g/mol. IUPAC: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide.
Chemical Property Profile of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide
Property Insights of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide
The XLogP value of 3.5946 indicates that N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-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-nitrobenzamide. Following Lipinski's Rule of Five, N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-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-nitrobenzamide?
The CAS number of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide is 428485-87-4.
What is the molecular formula of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide?
The molecular formula of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide is C20H13FN6O3S.
What is the molecular weight of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide?
The molecular weight of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide is 436.08 g/mol.
Where can I buy N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide?
You can request a quote for N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-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-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.