1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine
TL;DR: 1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine (CAS 1022234-53-2) is a chemical compound with molecular formula C21H25ClF3N3O2S and molecular weight 475.1308 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-tert-butylphenyl)sulfonyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
Also Known As: 1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine, 1-(4-tert-butylphenyl)sulfonyl-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane, 1-(4-tert-butylbenzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane, 1-(4-tert-butylphenyl)sulfonyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane
Technical Specifications
| Molecular Formula | C21H25ClF3N3O2S |
| Molecular Weight | 475.1308 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 61.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.1308 Da |
| Heavy Atoms | 31 |
| Complexity | 700.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl |
| InChIKey | USGLEIXNIHHLSI-UHFFFAOYSA-N |
Chemical Property Profile of 1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine
Property Insights of 1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine
The XLogP value of 5.5 indicates that 1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine. Following Lipinski's Rule of Five, 1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine?
The CAS number of 1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine is 1022234-53-2.
What is the molecular formula of 1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine?
The molecular formula of 1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine is C21H25ClF3N3O2S.
What is the molecular weight of 1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine?
The molecular weight of 1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine is 475.1308 g/mol.
Where can I buy 1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine?
You can request a quote for 1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine?
Yes, CoreyChem provides custom synthesis services for 1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.