Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)-
TL;DR: Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)- (CAS 83642-27-7) is a chemical compound with molecular formula C14H11NO3S and molecular weight 273.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylsulfonylphenoxy)benzonitrile
Also Known As: 4-(4-methylsulfonylphenoxy)benzonitrile, Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)-, 4-(4-(Methylsulfonyl)phenoxy)benzonitrile, 4-[4-(Methanesulfonyl)phenoxy]benzonitrile, 4-[4-(METHYLSULFONYL)PHENOXY]-BENZONITRILE
| Molecular Formula | C14H11NO3S |
|---|---|
| Molecular Weight | 273.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.04596 |
| Heavy Atoms | 19 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 83642-27-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N |
| InChIKey | AMBZZIOOUCCXPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)- (CAS 83642-27-7), with molecular formula C14H11NO3S and molecular weight 273.05 g/mol. IUPAC: 4-(4-methylsulfonylphenoxy)benzonitrile.
Chemical Property Profile of Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)-
Property Insights of Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)-. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)-. Following Lipinski's Rule of Five, Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)- 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, 4-(4-(methylsulfonyl)phenoxy)-?
The CAS number of Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)- is 83642-27-7.
What is the molecular formula of Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)-?
The molecular formula of Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)- is C14H11NO3S.
What is the molecular weight of Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)-?
The molecular weight of Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)- is 273.05 g/mol.
Where can I buy Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)-?
You can request a quote for Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.