(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))((3-methyl-4-(isopropyl)phenyl)amino)methane-1-thione
TL;DR: (4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))((3-methyl-4-(isopropyl)phenyl)amino)methane-1-thione (CAS 1024194-20-4) is a chemical compound with molecular formula C22H26ClF3N4S and molecular weight 470.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methyl-4-propan-2-ylphenyl)-1,4-diazepane-1-carbothioamide
Also Known As: (4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))((3-methyl-4-(isopropyl)phenyl)amino)methane-1-thione, 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3-methyl-4-propan-2-ylphenyl)-1,4-diazepane-1-carbothioamide, 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(4-isopropyl-3-methyl-phenyl)-1,4-diazepane-1-carbothioamide, 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[3-methyl-4-(propan-2-yl)phenyl]-1,4-diazepane-1-carbothioamide, C22H26ClF3N4S
| Molecular Formula | C22H26ClF3N4S |
|---|---|
| Molecular Weight | 470.15 g/mol |
| LogP | 6.09472 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 470.1519 |
| Heavy Atoms | 31 |
| Complexity | 948.8386 |
Chemical Identifiers
| CAS Number | 1024194-20-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=S)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C(C)C |
Product Overview
(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))((3-methyl-4-(isopropyl)phenyl)amino)methane-1-thione (CAS 1024194-20-4), with molecular formula C22H26ClF3N4S and molecular weight 470.15 g/mol. IUPAC: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methyl-4-propan-2-ylphenyl)-1,4-diazepane-1-carbothioamide.
Chemical Property Profile of (4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))((3-methyl-4-(isopropyl)phenyl)amino)methane-1-thione
Property Insights of (4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))((3-methyl-4-(isopropyl)phenyl)amino)methane-1-thione
The XLogP value of 6.09472 indicates that (4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))((3-methyl-4-(isopropyl)phenyl)amino)methane-1-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, (4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))((3-methyl-4-(isopropyl)phenyl)amino)methane-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))((3-methyl-4-(isopropyl)phenyl)amino)methane-1-thione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))((3-methyl-4-(isopropyl)phenyl)amino)methane-1-thione?
The CAS number of (4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))((3-methyl-4-(isopropyl)phenyl)amino)methane-1-thione is 1024194-20-4.
What is the molecular formula of (4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))((3-methyl-4-(isopropyl)phenyl)amino)methane-1-thione?
The molecular formula of (4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))((3-methyl-4-(isopropyl)phenyl)amino)methane-1-thione is C22H26ClF3N4S.
What is the molecular weight of (4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))((3-methyl-4-(isopropyl)phenyl)amino)methane-1-thione?
The molecular weight of (4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))((3-methyl-4-(isopropyl)phenyl)amino)methane-1-thione is 470.15 g/mol.
Where can I buy (4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))((3-methyl-4-(isopropyl)phenyl)amino)methane-1-thione?
You can request a quote for (4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))((3-methyl-4-(isopropyl)phenyl)amino)methane-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))((3-methyl-4-(isopropyl)phenyl)amino)methane-1-thione?
Yes, KEHONG BIO provides custom synthesis services for (4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))((3-methyl-4-(isopropyl)phenyl)amino)methane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.