3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl benzenesulfonate
TL;DR: 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl benzenesulfonate (CAS 488733-80-8) is a chemical compound with molecular formula C22H14ClNO5S and molecular weight 439.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] benzenesulfonate
Also Known As: [3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] benzenesulfonate|3-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl benzenesulfonate|3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]phenyl benzenesulfonate
| Molecular Formula | C22H14ClNO5S |
|---|---|
| Molecular Weight | 439.03 g/mol |
| LogP | 4.3958 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.0281 |
| Heavy Atoms | 30 |
| Complexity | 1299.8679 |
Chemical Identifiers
| CAS Number | 488733-80-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)NC3=C(C(=O)C4=CC=CC=C4C3=O)Cl |
Product Overview
3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl benzenesulfonate (CAS 488733-80-8), with molecular formula C22H14ClNO5S and molecular weight 439.03 g/mol. IUPAC: [3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] benzenesulfonate.
Chemical Property Profile of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl benzenesulfonate
Property Insights of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl benzenesulfonate
The XLogP value of 4.3958 indicates that 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl benzenesulfonate. Following Lipinski's Rule of Five, 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl benzenesulfonate has 1 hydrogen bond donor(s) and 6 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 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl benzenesulfonate?
The CAS number of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl benzenesulfonate is 488733-80-8.
What is the molecular formula of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl benzenesulfonate?
The molecular formula of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl benzenesulfonate is C22H14ClNO5S.
What is the molecular weight of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl benzenesulfonate?
The molecular weight of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl benzenesulfonate is 439.03 g/mol.
Where can I buy 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl benzenesulfonate?
You can request a quote for 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-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 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.