(((3,4-dimethoxyphenyl)methyl)amino)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))methane-1-thione
TL;DR: (((3,4-dimethoxyphenyl)methyl)amino)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))methane-1-thione (CAS 1022362-61-3) is a chemical compound with molecular formula C21H24ClF3N4O2S and molecular weight 488.13 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-[(3,4-dimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide
Also Known As: (((3,4-dimethoxyphenyl)methyl)amino)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))methane-1-thione, 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide, 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-[(3,4-dimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide, C21H24ClF3N4O2S
| Molecular Formula | C21H24ClF3N4O2S |
|---|---|
| Molecular Weight | 488.13 g/mol |
| LogP | 4.3578 |
| Topological Polar Surface Area | 49.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.12607 |
| Heavy Atoms | 32 |
| Complexity | 961.1274 |
Chemical Identifiers
| CAS Number | 1022362-61-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC(=S)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)OC |
Product Overview
(((3,4-dimethoxyphenyl)methyl)amino)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))methane-1-thione (CAS 1022362-61-3), with molecular formula C21H24ClF3N4O2S and molecular weight 488.13 g/mol. IUPAC: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3,4-dimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide.
Chemical Property Profile of (((3,4-dimethoxyphenyl)methyl)amino)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))methane-1-thione
Property Insights of (((3,4-dimethoxyphenyl)methyl)amino)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))methane-1-thione
The XLogP value of 4.3578 indicates that (((3,4-dimethoxyphenyl)methyl)amino)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))methane-1-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.86 Ų, (((3,4-dimethoxyphenyl)methyl)amino)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))methane-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (((3,4-dimethoxyphenyl)methyl)amino)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))methane-1-thione has 1 hydrogen bond donor(s) and 5 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 (((3,4-dimethoxyphenyl)methyl)amino)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))methane-1-thione?
The CAS number of (((3,4-dimethoxyphenyl)methyl)amino)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))methane-1-thione is 1022362-61-3.
What is the molecular formula of (((3,4-dimethoxyphenyl)methyl)amino)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))methane-1-thione?
The molecular formula of (((3,4-dimethoxyphenyl)methyl)amino)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))methane-1-thione is C21H24ClF3N4O2S.
What is the molecular weight of (((3,4-dimethoxyphenyl)methyl)amino)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))methane-1-thione?
The molecular weight of (((3,4-dimethoxyphenyl)methyl)amino)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))methane-1-thione is 488.13 g/mol.
Where can I buy (((3,4-dimethoxyphenyl)methyl)amino)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))methane-1-thione?
You can request a quote for (((3,4-dimethoxyphenyl)methyl)amino)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))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 (((3,4-dimethoxyphenyl)methyl)amino)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))methane-1-thione?
Yes, KEHONG BIO provides custom synthesis services for (((3,4-dimethoxyphenyl)methyl)amino)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))methane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.