C22H12ClF3N2O5S
TL;DR: C22H12ClF3N2O5S (CAS 1025258-96-1) is a chemical compound with molecular formula C22H12ClF3N2O5S and molecular weight 508.01074 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)sulfonyl-3-[5-nitro-2-[4-(trifluoromethyl)phenoxy]phenyl]prop-2-enenitrile
Also Known As: 2-(4-chlorophenyl)sulfonyl-3-[5-nitro-2-[4-(trifluoromethyl)phenoxy]phenyl]prop-2-enenitrile, 2-((4-CHLOROPHENYL)SULFONYL)-3-(5-NITRO-2-(4-(TRIFLUOROMETHYL)PHENOXY)PHENYL)PROP-2-ENENITRILE
Technical Specifications
| Molecular Formula | C22H12ClF3N2O5S |
| Molecular Weight | 508.01074 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.01074 Da |
| Heavy Atoms | 34 |
| Complexity | 906.0 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)OC2=C(C=C(C=C2)[N+](=O)[O-])C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl |
| InChIKey | CLDAOGIRXKXLCA-UHFFFAOYSA-N |
Chemical Property Profile of C22H12ClF3N2O5S
Property Insights of C22H12ClF3N2O5S
The XLogP value of 5.9 indicates that C22H12ClF3N2O5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H12ClF3N2O5S. Following Lipinski's Rule of Five, C22H12ClF3N2O5S has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C22H12ClF3N2O5S?
The CAS number of C22H12ClF3N2O5S is 1025258-96-1.
What is the molecular formula of C22H12ClF3N2O5S?
The molecular formula of C22H12ClF3N2O5S is C22H12ClF3N2O5S.
What is the molecular weight of C22H12ClF3N2O5S?
The molecular weight of C22H12ClF3N2O5S is 508.01074 g/mol.
Where can I buy C22H12ClF3N2O5S?
You can request a quote for C22H12ClF3N2O5S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C22H12ClF3N2O5S?
Yes, CoreyChem provides custom synthesis services for C22H12ClF3N2O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.