![1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide structure](/static/products/396/396101-12-5.png)
1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide
TL;DR: 1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide (CAS 396101-12-5) is a chemical compound with molecular formula C18H12FN3O3 and molecular weight 337.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-fluorophenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione
Also Known As: 3-[2-(4-fluorophenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione, 1-(4-fluorophenethyl)-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]triazole 2-oxide, 1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide
| Molecular Formula | C18H12FN3O3 |
|---|---|
| Molecular Weight | 337.09 g/mol |
| LogP | 1.6737 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.08627 |
| Heavy Atoms | 25 |
| Complexity | 1008.9058 |
Chemical Identifiers
| CAS Number | 396101-12-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N([N+](=N3)[O-])CCC4=CC=C(C=C4)F |
Product Overview
1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide (CAS 396101-12-5), with molecular formula C18H12FN3O3 and molecular weight 337.09 g/mol. IUPAC: 3-[2-(4-fluorophenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione.
Chemical Property Profile of 1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide
Property Insights of 1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide
The XLogP value of 1.6737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide. Following Lipinski's Rule of Five, 1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide has 0 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 1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide?
The CAS number of 1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide is 396101-12-5.
What is the molecular formula of 1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide?
The molecular formula of 1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide is C18H12FN3O3.
What is the molecular weight of 1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide?
The molecular weight of 1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide is 337.09 g/mol.
Where can I buy 1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide?
You can request a quote for 1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(4-fluorophenyl)ethyl]-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.