![N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide structure](/static/products/4256/425682-52-6.webp)
N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide
TL;DR: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide (CAS 425682-52-6) is a chemical compound with molecular formula C24H22FN5OS and molecular weight 447.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide
Also Known As: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide, N-{[2-(4-butylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-2-fluorobenzamide
| Molecular Formula | C24H22FN5OS |
|---|---|
| Molecular Weight | 447.15 g/mol |
| LogP | 5.029 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.15292 |
| Heavy Atoms | 32 |
| Complexity | 1269.126 |
Chemical Identifiers
| CAS Number | 425682-52-6 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4F |
Product Overview
N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide (CAS 425682-52-6), with molecular formula C24H22FN5OS and molecular weight 447.15 g/mol. IUPAC: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide.
Chemical Property Profile of N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide
Property Insights of N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide
The XLogP value of 5.029 indicates that N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-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-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide. Following Lipinski's Rule of Five, N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide?
The CAS number of N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide is 425682-52-6.
What is the molecular formula of N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide?
The molecular formula of N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide is C24H22FN5OS.
What is the molecular weight of N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide?
The molecular weight of N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide is 447.15 g/mol.
Where can I buy N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide?
You can request a quote for N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-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-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.