![[4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate structure](/static/products/498/498568-67-5.png)
[4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate
TL;DR: [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate (CAS 498568-67-5) is a chemical compound with molecular formula C28H18N4O5S and molecular weight 522.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate
Also Known As: [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate|4-((3-(1H-benzo[d][1,2,3]triazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl benzenesulfonate|4-{[3-(1H-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}phenyl benzenesulfonate
| Molecular Formula | C28H18N4O5S |
|---|---|
| Molecular Weight | 522.10 g/mol |
| LogP | 4.5589 |
| Topological Polar Surface Area | 120.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.0998 |
| Heavy Atoms | 38 |
| Complexity | 1860.661 |
Chemical Identifiers
| CAS Number | 498568-67-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)NC3=C(C(=O)C4=CC=CC=C4C3=O)N5C6=CC=CC=C6N=N5 |
Product Overview
[4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate (CAS 498568-67-5), with molecular formula C28H18N4O5S and molecular weight 522.10 g/mol. IUPAC: [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate.
Chemical Property Profile of [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate
Property Insights of [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate
The XLogP value of 4.5589 indicates that [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.25 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate. Following Lipinski's Rule of Five, [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate?
The CAS number of [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate is 498568-67-5.
What is the molecular formula of [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate?
The molecular formula of [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate is C28H18N4O5S.
What is the molecular weight of [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate?
The molecular weight of [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate is 522.10 g/mol.
Where can I buy [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate?
You can request a quote for [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.