Benzonitrile, 4-ethoxyethylsulfonyl-2,3,5,6-tetrachloro-
TL;DR: Benzonitrile, 4-ethoxyethylsulfonyl-2,3,5,6-tetrachloro- (CAS 56916-72-4) is a chemical compound with molecular formula C11H9Cl4NO3S and molecular weight 374.91 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-ethoxyethylsulfonyl)benzonitrile
Also Known As: 4- -2,3,5,6-tetrachlorobenzonitrile, 4-Ethoxyethylsulfonyl-2,3,5,6-tetrachlorobenzonitrile, BENZONITRILE, 4-ETHOXYETHYLSULFONYL-2,3,5,6-TETRACHLORO-, 4-(2-Ethoxyethylsulfonyl)-2,3,5,6-tetrachlorobenzonitrile, 2,3,5,6-Tetrachloro-4-(2-ethoxyethanesulfonyl)benzonitrile
| Molecular Formula | C11H9Cl4NO3S |
|---|---|
| Molecular Weight | 374.91 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.90277 |
| Heavy Atoms | 20 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 56916-72-4 |
|---|---|
| SMILES | CCOCCS(=O)(=O)C1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl |
| InChIKey | GBITXFDURSIVHU-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-ethoxyethylsulfonyl-2,3,5,6-tetrachloro- (CAS 56916-72-4), with molecular formula C11H9Cl4NO3S and molecular weight 374.91 g/mol. IUPAC: 2,3,5,6-tetrachloro-4-(2-ethoxyethylsulfonyl)benzonitrile.
Chemical Property Profile of Benzonitrile, 4-ethoxyethylsulfonyl-2,3,5,6-tetrachloro-
Property Insights of Benzonitrile, 4-ethoxyethylsulfonyl-2,3,5,6-tetrachloro-
The XLogP value of 3.6 indicates that Benzonitrile, 4-ethoxyethylsulfonyl-2,3,5,6-tetrachloro- 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, 4-ethoxyethylsulfonyl-2,3,5,6-tetrachloro-. Following Lipinski's Rule of Five, Benzonitrile, 4-ethoxyethylsulfonyl-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-ethoxyethylsulfonyl-2,3,5,6-tetrachloro-?
The CAS number of Benzonitrile, 4-ethoxyethylsulfonyl-2,3,5,6-tetrachloro- is 56916-72-4.
What is the molecular formula of Benzonitrile, 4-ethoxyethylsulfonyl-2,3,5,6-tetrachloro-?
The molecular formula of Benzonitrile, 4-ethoxyethylsulfonyl-2,3,5,6-tetrachloro- is C11H9Cl4NO3S.
What is the molecular weight of Benzonitrile, 4-ethoxyethylsulfonyl-2,3,5,6-tetrachloro-?
The molecular weight of Benzonitrile, 4-ethoxyethylsulfonyl-2,3,5,6-tetrachloro- is 374.91 g/mol.
Where can I buy Benzonitrile, 4-ethoxyethylsulfonyl-2,3,5,6-tetrachloro-?
You can request a quote for Benzonitrile, 4-ethoxyethylsulfonyl-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-ethoxyethylsulfonyl-2,3,5,6-tetrachloro-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-ethoxyethylsulfonyl-2,3,5,6-tetrachloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.