![[3-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate structure](/static/products/799/799811-36-2.png)
[3-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate
TL;DR: [3-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate (CAS 799811-36-2) is a chemical compound with molecular formula C29H17ClN4O4 and molecular weight 520.09 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] 2-chlorobenzoate
Also Known As: [3-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate|[3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 2-chlorobenzoate|3-((3-(1H-benzo[d][1,2,3]triazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate|3-{[3-(1H-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}phenyl 2-chlorobenzoate
| Molecular Formula | C29H17ClN4O4 |
|---|---|
| Molecular Weight | 520.09 g/mol |
| LogP | 5.6638 |
| Topological Polar Surface Area | 103.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 520.0938 |
| Heavy Atoms | 38 |
| Complexity | 1807.4755 |
Chemical Identifiers
| CAS Number | 799811-36-2 |
|---|---|
| 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=C6Cl |
Product Overview
[3-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate (CAS 799811-36-2), with molecular formula C29H17ClN4O4 and molecular weight 520.09 g/mol. IUPAC: [3-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] 2-chlorobenzoate.
Chemical Property Profile of [3-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate
Property Insights of [3-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate
The XLogP value of 5.6638 indicates that [3-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate 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 [3-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate. Following Lipinski's Rule of Five, [3-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate has 1 hydrogen bond donor(s) and 7 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-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate?
The CAS number of [3-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate is 799811-36-2.
What is the molecular formula of [3-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate?
The molecular formula of [3-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate is C29H17ClN4O4.
What is the molecular weight of [3-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate?
The molecular weight of [3-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate is 520.09 g/mol.
Where can I buy [3-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate?
You can request a quote for [3-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate 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-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [3-[(3-benzotriazol-1-yl-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.