3-Cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulphonyl chloride
TL;DR: 3-Cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulphonyl chloride (CAS 680212-96-8) is a chemical compound with molecular formula C11H6ClF6NO4S and molecular weight 396.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
Also Known As: 3-cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulphonyl chloride, 3-cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulfonyl Chloride, 3-Cyano-2,4-bis(2,2,2-trifluoroethoxy)phenylsulfonyl chloride
| Molecular Formula | C11H6ClF6NO4S |
|---|---|
| Molecular Weight | 396.96 g/mol |
| LogP | 3.36798 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.96103 |
| Heavy Atoms | 24 |
| Complexity | 753.4932 |
Chemical Identifiers
| CAS Number | 680212-96-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1OCC(F)(F)F)C#N)OCC(F)(F)F)S(=O)(=O)Cl |
Product Overview
3-Cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulphonyl chloride (CAS 680212-96-8), with molecular formula C11H6ClF6NO4S and molecular weight 396.96 g/mol. IUPAC: 3-cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulfonyl chloride.
Chemical Property Profile of 3-Cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulphonyl chloride
Property Insights of 3-Cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulphonyl chloride
The XLogP value of 3.36798 indicates that 3-Cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulphonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulphonyl chloride. Following Lipinski's Rule of Five, 3-Cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulphonyl chloride 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 3-Cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulphonyl chloride?
The CAS number of 3-Cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulphonyl chloride is 680212-96-8.
What is the molecular formula of 3-Cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulphonyl chloride?
The molecular formula of 3-Cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulphonyl chloride is C11H6ClF6NO4S.
What is the molecular weight of 3-Cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulphonyl chloride?
The molecular weight of 3-Cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulphonyl chloride is 396.96 g/mol.
Where can I buy 3-Cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulphonyl chloride?
You can request a quote for 3-Cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulphonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulphonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-2,4-bis(2,2,2-trifluoroethoxy)benzenesulphonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.