![[3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate structure](/static/products/488/488718-96-3.png)
[3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate
TL;DR: [3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate (CAS 488718-96-3) is a chemical compound with molecular formula C29H17N5O6 and molecular weight 531.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate
Also Known As: [3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate|3-((3-(1H-benzo[d][1,2,3]triazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 3-nitrobenzoate|3-{[3-(1H-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}phenyl 3-nitrobenzoate
| Molecular Formula | C29H17N5O6 |
|---|---|
| Molecular Weight | 531.12 g/mol |
| LogP | 4.9186 |
| Topological Polar Surface Area | 146.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 531.11786 |
| Heavy Atoms | 40 |
| Complexity | 1908.0767 |
Chemical Identifiers
| CAS Number | 488718-96-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)NC5=CC(=CC=C5)OC(=O)C6=CC(=CC=C6)[N+](=O)[O-] |
Product Overview
[3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate (CAS 488718-96-3), with molecular formula C29H17N5O6 and molecular weight 531.12 g/mol. IUPAC: [3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate.
Chemical Property Profile of [3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate
Property Insights of [3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate
The XLogP value of 4.9186 indicates that [3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.32 Ų indicates high polarity, suggesting [3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate?
The CAS number of [3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate is 488718-96-3.
What is the molecular formula of [3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate?
The molecular formula of [3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate is C29H17N5O6.
What is the molecular weight of [3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate?
The molecular weight of [3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate is 531.12 g/mol.
Where can I buy [3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate?
You can request a quote for [3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.