Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)-
TL;DR: Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)- (CAS 83649-25-6) is a chemical compound with molecular formula C14H9Cl2NO3S and molecular weight 340.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dichlorophenoxy)-5-methylsulfonylbenzonitrile
Also Known As: Setrilan, Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)-, 2-(3,4-DICHLOROPHENOXY)-5-(METHYLSULFONYL)BENZONITRILE, 2-(3,4-dichlorophenoxy)-5-methylsulfonylbenzonitrile, 2-(3,4-dichlorophenoxy)-5-methylsulfonyl-benzonitrile
| Molecular Formula | C14H9Cl2NO3S |
|---|---|
| Molecular Weight | 340.97 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.96802 |
| Heavy Atoms | 21 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 83649-25-6 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC(=C(C=C2)Cl)Cl)C#N |
| InChIKey | ZDDDJPYIMUKJFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)- (CAS 83649-25-6), with molecular formula C14H9Cl2NO3S and molecular weight 340.97 g/mol. IUPAC: 2-(3,4-dichlorophenoxy)-5-methylsulfonylbenzonitrile.
Chemical Property Profile of Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)-
Property Insights of Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)-
The XLogP value of 3.7 indicates that Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)-. Following Lipinski's Rule of Five, Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)- has 0 hydrogen bond donor(s) and 4 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 Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)-?
The CAS number of Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)- is 83649-25-6.
What is the molecular formula of Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)-?
The molecular formula of Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)- is C14H9Cl2NO3S.
What is the molecular weight of Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)-?
The molecular weight of Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)- is 340.97 g/mol.
Where can I buy Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)-?
You can request a quote for Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.