![2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl benzoate structure](/static/products/867/867136-11-6.png)
2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl benzoate
TL;DR: 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl benzoate (CAS 867136-11-6) is a chemical compound with molecular formula C25H18N4O4 and molecular weight 438.13 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 benzoate
Also Known As: F1663-0001, 2-{[3-(1H-1,2,3-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}ethyl benzoate, 2-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl benzoate, 2-((3-(1H-benzo[d][1,2,3]triazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl benzoate, 2-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]ethyl Benzoate
| Molecular Formula | C25H18N4O4 |
|---|---|
| Molecular Weight | 438.13 g/mol |
| LogP | 3.1257 |
| Topological Polar Surface Area | 103.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.1328 |
| Heavy Atoms | 33 |
| Complexity | 1422.6432 |
Chemical Identifiers
| CAS Number | 867136-11-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCNC2=C(C(=O)C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4 |
Product Overview
2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl benzoate (CAS 867136-11-6), with molecular formula C25H18N4O4 and molecular weight 438.13 g/mol. IUPAC: 2-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl benzoate.
Chemical Property Profile of 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl benzoate
Property Insights of 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl benzoate
The XLogP value of 3.1257 indicates that 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl benzoate 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 benzoate. Following Lipinski's Rule of Five, 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl benzoate 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 benzoate?
The CAS number of 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl benzoate is 867136-11-6.
What is the molecular formula of 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl benzoate?
The molecular formula of 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl benzoate is C25H18N4O4.
What is the molecular weight of 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl benzoate?
The molecular weight of 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl benzoate is 438.13 g/mol.
Where can I buy 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl benzoate?
You can request a quote for 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl benzoate 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 benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[[3-(Benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]ethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.