![4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide structure](/static/products/4284/428488-59-9.webp)
4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide
TL;DR: 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide (CAS 428488-59-9) is a chemical compound with molecular formula C22H18FN5O2S and molecular weight 435.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide
Also Known As: 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide, 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]benzamide, 4-ethoxy-N-{[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
| Molecular Formula | C22H18FN5O2S |
|---|---|
| Molecular Weight | 435.12 g/mol |
| LogP | 4.0851 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.11652 |
| Heavy Atoms | 31 |
| Complexity | 1239.2437 |
Chemical Identifiers
| CAS Number | 428488-59-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F |
Product Overview
4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide (CAS 428488-59-9), with molecular formula C22H18FN5O2S and molecular weight 435.12 g/mol. IUPAC: 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide.
Chemical Property Profile of 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide
Property Insights of 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide
The XLogP value of 4.0851 indicates that 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 5 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 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
The CAS number of 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide is 428488-59-9.
What is the molecular formula of 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
The molecular formula of 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide is C22H18FN5O2S.
What is the molecular weight of 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
The molecular weight of 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide is 435.12 g/mol.
Where can I buy 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
You can request a quote for 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-ethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.