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 475.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C21H25ClF3N3O2S |
|---|---|
| Molecular Weight | 475.13 g/mol |
| LogP | 4.9523 |
| Topological Polar Surface Area | 53.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 475.1308 |
| Heavy Atoms | 31 |
| Complexity | 1035.3159 |
Chemical Identifiers
| CAS Number | 1022234-53-2 |
|---|---|
| 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 |
Product Overview
1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine (CAS 1022234-53-2), with molecular formula C21H25ClF3N3O2S and molecular weight 475.13 g/mol. IUPAC: 1-(4-tert-butylphenyl)sulfonyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane.
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 4.9523 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. With a topological polar surface area (TPSA) of 53.51 Ų, 1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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 4 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 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 475.13 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((4-(tert-butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine?
Yes, KEHONG BIO 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.