![2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide structure](/static/products/4325/432518-85-9.webp)
2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide
TL;DR: 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide (CAS 432518-85-9) is a chemical compound with molecular formula C22H22ClFN2OS and molecular weight 416.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide
Also Known As: 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide, 2-[(4-CHLOROBENZYL)AMINO]-N-(4-FLUOROPHENYL)-4,4-DIMETHYL-6-OXO-1-CYCLOHEXENE-1-CARBOTHIOAMIDE, 2-[(4-chlorobenzyl)amino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide, 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxo-cyclohexene-1-carbothioamide, 3-{[(4-chlorophenyl)methyl]amino}-2-{[(4-fluorophenyl)amino]thioxomethyl}-5,5- dimethylcyclohex-2-en-1-one
| Molecular Formula | C22H22ClFN2OS |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | 5.6514 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.11255 |
| Heavy Atoms | 28 |
| Complexity | 920.55786 |
Chemical Identifiers
| CAS Number | 432518-85-9 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)F)NCC3=CC=C(C=C3)Cl)C |
Product Overview
2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide (CAS 432518-85-9), with molecular formula C22H22ClFN2OS and molecular weight 416.11 g/mol. IUPAC: 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide.
Chemical Property Profile of 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide
Property Insights of 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide
The XLogP value of 5.6514 indicates that 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide has 2 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 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide?
The CAS number of 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide is 432518-85-9.
What is the molecular formula of 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide?
The molecular formula of 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide is C22H22ClFN2OS.
What is the molecular weight of 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide?
The molecular weight of 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide is 416.11 g/mol.
Where can I buy 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide?
You can request a quote for 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.