Benzene, 1,2-dichloro-4-(4-(methylsulfonyl)-2-nitrophenoxy)-
TL;DR: Benzene, 1,2-dichloro-4-(4-(methylsulfonyl)-2-nitrophenoxy)- (CAS 83642-35-7) is a chemical compound with molecular formula C13H9Cl2NO5S and molecular weight 360.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichloro-4-(4-methylsulfonyl-2-nitrophenoxy)benzene
Also Known As: Benzene, 1,2-dichloro-4-(4-(methylsulfonyl)-2-nitrophenoxy)-, 1,2-dichloro-4-(4-methylsulfonyl-2-nitrophenoxy)benzene, 1,2-dichloro-4-(4-methylsulfonyl-2-nitro-phenoxy)benzene, 4-(4-(methylsulfonyl)-2-nitrophenoxy)-1,2-dichlorobenzene, 1,2-Dichloro-4-[4-(methanesulfonyl)-2-nitrophenoxy]benzene
| Molecular Formula | C13H9Cl2NO5S |
|---|---|
| Molecular Weight | 360.96 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.95786 |
| Heavy Atoms | 22 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 83642-35-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-] |
| InChIKey | SHDQPHBWYJOEAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,2-dichloro-4-(4-(methylsulfonyl)-2-nitrophenoxy)- (CAS 83642-35-7), with molecular formula C13H9Cl2NO5S and molecular weight 360.96 g/mol. IUPAC: 1,2-dichloro-4-(4-methylsulfonyl-2-nitrophenoxy)benzene.
Chemical Property Profile of Benzene, 1,2-dichloro-4-(4-(methylsulfonyl)-2-nitrophenoxy)-
Property Insights of Benzene, 1,2-dichloro-4-(4-(methylsulfonyl)-2-nitrophenoxy)-
The XLogP value of 3.8 indicates that Benzene, 1,2-dichloro-4-(4-(methylsulfonyl)-2-nitrophenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1,2-dichloro-4-(4-(methylsulfonyl)-2-nitrophenoxy)-. Following Lipinski's Rule of Five, Benzene, 1,2-dichloro-4-(4-(methylsulfonyl)-2-nitrophenoxy)- has 0 hydrogen bond donor(s) and 5 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 Benzene, 1,2-dichloro-4-(4-(methylsulfonyl)-2-nitrophenoxy)-?
The CAS number of Benzene, 1,2-dichloro-4-(4-(methylsulfonyl)-2-nitrophenoxy)- is 83642-35-7.
What is the molecular formula of Benzene, 1,2-dichloro-4-(4-(methylsulfonyl)-2-nitrophenoxy)-?
The molecular formula of Benzene, 1,2-dichloro-4-(4-(methylsulfonyl)-2-nitrophenoxy)- is C13H9Cl2NO5S.
What is the molecular weight of Benzene, 1,2-dichloro-4-(4-(methylsulfonyl)-2-nitrophenoxy)-?
The molecular weight of Benzene, 1,2-dichloro-4-(4-(methylsulfonyl)-2-nitrophenoxy)- is 360.96 g/mol.
Where can I buy Benzene, 1,2-dichloro-4-(4-(methylsulfonyl)-2-nitrophenoxy)-?
You can request a quote for Benzene, 1,2-dichloro-4-(4-(methylsulfonyl)-2-nitrophenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,2-dichloro-4-(4-(methylsulfonyl)-2-nitrophenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,2-dichloro-4-(4-(methylsulfonyl)-2-nitrophenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.