C21H12BrClF3N3O3S
TL;DR: C21H12BrClF3N3O3S (CAS 1025956-55-1) is a chemical compound with molecular formula C21H12BrClF3N3O3S and molecular weight 556.9423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-bromophenyl)sulfonyl-3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]prop-2-enenitrile
Also Known As: 2-((4-BROMOPHENYL)SULFONYL)-3-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)AMINO)PROP-2-ENENITRILE, 2-(4-bromophenyl)sulfonyl-3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]anilino]prop-2-enenitrile, 2-(4-bromophenyl)sulfonyl-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]prop-2-enenitrile, C21H12BrClF3N3O3S
Technical Specifications
| Molecular Formula | C21H12BrClF3N3O3S |
| Molecular Weight | 556.9423 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 556.9423 Da |
| Heavy Atoms | 33 |
| Complexity | 842.0 |
| SMILES | C1=CC(=CC=C1NC=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Br)OC3=C(C=C(C=N3)C(F)(F)F)Cl |
| InChIKey | YVAIRJDMDHZSPL-UHFFFAOYSA-N |
Chemical Property Profile of C21H12BrClF3N3O3S
Property Insights of C21H12BrClF3N3O3S
The XLogP value of 6.3 indicates that C21H12BrClF3N3O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H12BrClF3N3O3S. Following Lipinski's Rule of Five, C21H12BrClF3N3O3S has 1 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 C21H12BrClF3N3O3S?
The CAS number of C21H12BrClF3N3O3S is 1025956-55-1.
What is the molecular formula of C21H12BrClF3N3O3S?
The molecular formula of C21H12BrClF3N3O3S is C21H12BrClF3N3O3S.
What is the molecular weight of C21H12BrClF3N3O3S?
The molecular weight of C21H12BrClF3N3O3S is 556.9423 g/mol.
Where can I buy C21H12BrClF3N3O3S?
You can request a quote for C21H12BrClF3N3O3S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C21H12BrClF3N3O3S?
Yes, CoreyChem provides custom synthesis services for C21H12BrClF3N3O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.