4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1-((4-(trifluoromethoxy)phenyl)sulfonyl)-1,4-diazaperhydroepine
TL;DR: 4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1-((4-(trifluoromethoxy)phenyl)sulfonyl)-1,4-diazaperhydroepine (CAS 1022400-77-6) is a chemical compound with molecular formula C18H16ClF6N3O3S and molecular weight 503.0505 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane
Also Known As: 4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1-((4-(trifluoromethoxy)phenyl)sulfonyl)-1,4-diazaperhydroepine, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane, 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[4-(trifluoromethoxy)benzenesulfonyl]-1,4-diazepane, C18H16ClF6N3O3S
Technical Specifications
| Molecular Formula | C18H16ClF6N3O3S |
| Molecular Weight | 503.0505 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 503.0505 Da |
| Heavy Atoms | 32 |
| Complexity | 725.0 |
| SMILES | C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)C3=C(C=C(C=N3)C(F)(F)F)Cl |
| InChIKey | QNVCWMBQXHXMDI-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1-((4-(trifluoromethoxy)phenyl)sulfonyl)-1,4-diazaperhydroepine
Property Insights of 4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1-((4-(trifluoromethoxy)phenyl)sulfonyl)-1,4-diazaperhydroepine
The XLogP value of 5.0 indicates that 4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1-((4-(trifluoromethoxy)phenyl)sulfonyl)-1,4-diazaperhydroepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1-((4-(trifluoromethoxy)phenyl)sulfonyl)-1,4-diazaperhydroepine. Following Lipinski's Rule of Five, 4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1-((4-(trifluoromethoxy)phenyl)sulfonyl)-1,4-diazaperhydroepine has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1-((4-(trifluoromethoxy)phenyl)sulfonyl)-1,4-diazaperhydroepine?
The CAS number of 4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1-((4-(trifluoromethoxy)phenyl)sulfonyl)-1,4-diazaperhydroepine is 1022400-77-6.
What is the molecular formula of 4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1-((4-(trifluoromethoxy)phenyl)sulfonyl)-1,4-diazaperhydroepine?
The molecular formula of 4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1-((4-(trifluoromethoxy)phenyl)sulfonyl)-1,4-diazaperhydroepine is C18H16ClF6N3O3S.
What is the molecular weight of 4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1-((4-(trifluoromethoxy)phenyl)sulfonyl)-1,4-diazaperhydroepine?
The molecular weight of 4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1-((4-(trifluoromethoxy)phenyl)sulfonyl)-1,4-diazaperhydroepine is 503.0505 g/mol.
Where can I buy 4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1-((4-(trifluoromethoxy)phenyl)sulfonyl)-1,4-diazaperhydroepine?
You can request a quote for 4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1-((4-(trifluoromethoxy)phenyl)sulfonyl)-1,4-diazaperhydroepine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1-((4-(trifluoromethoxy)phenyl)sulfonyl)-1,4-diazaperhydroepine?
Yes, CoreyChem provides custom synthesis services for 4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1-((4-(trifluoromethoxy)phenyl)sulfonyl)-1,4-diazaperhydroepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.