Benzonitrile, 4-cyanoethylsulfonyl-2,3,5,6-tetrachloro-
TL;DR: Benzonitrile, 4-cyanoethylsulfonyl-2,3,5,6-tetrachloro- (CAS 56916-60-0) is a chemical compound with molecular formula C10H4Cl4N2O2S and molecular weight 355.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetrachloro-4-(2-cyanoethylsulfonyl)benzonitrile
Also Known As: 4-Cyanoethylsulfonyl-2,3,5,6-tetrachlorobenzonitrile, BENZONITRILE, 4-CYANOETHYLSULFONYL-2,3,5,6-TETRACHLORO-, 2,3,5,6-tetrachloro-4-(2-cyanoethylsulfonyl)benzonitrile, BENZONITRILE,4-CYANOETHYLSULFONYL-2,3,5,6-TETRACHLORO, 2,3,5,6-TETRACHLORO-4-(2-CYANOETHANESULFONYL)BENZONITRILE
| Molecular Formula | C10H4Cl4N2O2S |
|---|---|
| Molecular Weight | 355.87 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.8718 |
| Heavy Atoms | 19 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 56916-60-0 |
|---|---|
| SMILES | C(CS(=O)(=O)C1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl)C#N |
| InChIKey | JNWPMAKJHMMAIG-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-cyanoethylsulfonyl-2,3,5,6-tetrachloro- (CAS 56916-60-0), with molecular formula C10H4Cl4N2O2S and molecular weight 355.87 g/mol. IUPAC: 2,3,5,6-tetrachloro-4-(2-cyanoethylsulfonyl)benzonitrile.
Chemical Property Profile of Benzonitrile, 4-cyanoethylsulfonyl-2,3,5,6-tetrachloro-
Property Insights of Benzonitrile, 4-cyanoethylsulfonyl-2,3,5,6-tetrachloro-
The XLogP value of 3.1 indicates that Benzonitrile, 4-cyanoethylsulfonyl-2,3,5,6-tetrachloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-cyanoethylsulfonyl-2,3,5,6-tetrachloro-. Following Lipinski's Rule of Five, Benzonitrile, 4-cyanoethylsulfonyl-2,3,5,6-tetrachloro- 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-cyanoethylsulfonyl-2,3,5,6-tetrachloro-?
The CAS number of Benzonitrile, 4-cyanoethylsulfonyl-2,3,5,6-tetrachloro- is 56916-60-0.
What is the molecular formula of Benzonitrile, 4-cyanoethylsulfonyl-2,3,5,6-tetrachloro-?
The molecular formula of Benzonitrile, 4-cyanoethylsulfonyl-2,3,5,6-tetrachloro- is C10H4Cl4N2O2S.
What is the molecular weight of Benzonitrile, 4-cyanoethylsulfonyl-2,3,5,6-tetrachloro-?
The molecular weight of Benzonitrile, 4-cyanoethylsulfonyl-2,3,5,6-tetrachloro- is 355.87 g/mol.
Where can I buy Benzonitrile, 4-cyanoethylsulfonyl-2,3,5,6-tetrachloro-?
You can request a quote for Benzonitrile, 4-cyanoethylsulfonyl-2,3,5,6-tetrachloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-cyanoethylsulfonyl-2,3,5,6-tetrachloro-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-cyanoethylsulfonyl-2,3,5,6-tetrachloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.