![2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate structure](/static/products/867/867136-12-7.png)
2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate
TL;DR: 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate (CAS 867136-12-7) is a chemical compound with molecular formula C25H17FN4O4 and molecular weight 456.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate
Also Known As: F1663-0010, 2-{[3-(1H-1,2,3-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}ethyl 4-fluorobenzoate, 2-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate, 2-((3-(1H-benzo[d][1,2,3]triazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl 4-fluorobenzoate, 2-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]ethyl 4-fluorobenzoate
| Molecular Formula | C25H17FN4O4 |
|---|---|
| Molecular Weight | 456.12 g/mol |
| LogP | 3.2648 |
| Topological Polar Surface Area | 103.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.12338 |
| Heavy Atoms | 34 |
| Complexity | 1473.8195 |
Chemical Identifiers
| CAS Number | 867136-12-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)NCCOC(=O)C5=CC=C(C=C5)F |
Product Overview
2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate (CAS 867136-12-7), with molecular formula C25H17FN4O4 and molecular weight 456.12 g/mol. IUPAC: 2-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate.
Chemical Property Profile of 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate
Property Insights of 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate
The XLogP value of 3.2648 indicates that 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate. Following Lipinski's Rule of Five, 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate has 1 hydrogen bond donor(s) and 7 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 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate?
The CAS number of 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate is 867136-12-7.
What is the molecular formula of 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate?
The molecular formula of 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate is C25H17FN4O4.
What is the molecular weight of 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate?
The molecular weight of 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate is 456.12 g/mol.
Where can I buy 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate?
You can request a quote for 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.