Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)-
TL;DR: Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)- (CAS 68892-04-6) is a chemical compound with molecular formula C12H7Cl2NO6S and molecular weight 362.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulfonic acid
Also Known As: 5-chloro-2- benzenesulphonicacid, 5-Chloro-2-(4-chloro-2-nitrophenoxy)benzenesulfonic acid, Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)-, 5-Chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonic acid, 5-Chloro-2-(4-chloro-2-nitrophenoxy)benzene-1-sulfonic acid
| Molecular Formula | C12H7Cl2NO6S |
|---|---|
| Molecular Weight | 362.94 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.9371 |
| Heavy Atoms | 22 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 68892-04-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)S(=O)(=O)O |
| InChIKey | DKAGODCVNALFNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)- (CAS 68892-04-6), with molecular formula C12H7Cl2NO6S and molecular weight 362.94 g/mol. IUPAC: 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)-
Property Insights of Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)-
The XLogP value of 3.3 indicates that Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)- 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 Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)-?
The CAS number of Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)- is 68892-04-6.
What is the molecular formula of Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)-?
The molecular formula of Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)- is C12H7Cl2NO6S.
What is the molecular weight of Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)-?
The molecular weight of Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)- is 362.94 g/mol.
Where can I buy Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)-?
You can request a quote for Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.