Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-
TL;DR: Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)- (CAS 22295-75-6) is a chemical compound with molecular formula C16H10ClNO5S and molecular weight 363.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]benzenesulfonic acid
Also Known As: 1,4-Naphthoquinone der., Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-, 4-[(3-chloro-1,4-dioxo-2-naphthyl)amino]benzenesulfonic acid, 4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]benzenesulfonic acid, 4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzene-1-sulfonic acid
| Molecular Formula | C16H10ClNO5S |
|---|---|
| Molecular Weight | 363.00 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.99683 |
| Heavy Atoms | 24 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 22295-75-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)S(=O)(=O)O |
| InChIKey | MLYBSSZMMDAHIS-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)- (CAS 22295-75-6), with molecular formula C16H10ClNO5S and molecular weight 363.00 g/mol. IUPAC: 4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]benzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-
Property Insights of Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)- has 2 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 Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-?
The CAS number of Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)- is 22295-75-6.
What is the molecular formula of Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-?
The molecular formula of Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)- is C16H10ClNO5S.
What is the molecular weight of Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-?
The molecular weight of Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)- is 363.00 g/mol.
Where can I buy Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-?
You can request a quote for Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.