TL;DR: RefChem:239182 (CAS 96725-30-3) is a chemical compound with molecular formula C18H16ClF3N2O and molecular weight 368.09033 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dimethyl-6-(trifluoromethyl)-4,7-dihydro-2H-indolo[2,3-c]quinolin-7-ium-1-one chloride
Also Known As: 1H-Indolo(2,3-c)quinolin-1-one, 2,3,4,7-tetrahydro-3,3-dimethyl-6-(trifluoromethyl)-, monohydrochloride, 2,3,4,7-Tetrahydro-3,3-dimethyl-6-(trifluoromethyl)-1H-indolo(2,3-c)quinolin-1-one HCl, 3,3-Dimethyl-6-trifluoromethyl-1-oxo-1,2,3,4-tetrahydroindolo(2,3-c)quinoline hydrochloride, 1H-INDOLO(2,3-c)QUINOLIN-1-ONE, 2,3,4,7-TETRAHYDRO-3,3-DIMETHYL-6-(TRIFLUOROMETH, 3,3-dimethyl-6-(trifluoromethyl)-4,7-dihydro-2H-indolo[2,3-c]quinolin-7-ium-1-one chloride
| Molecular Formula | C18H16ClF3N2O |
| Molecular Weight | 368.09033 g/mol |
| XLogP | 0.77 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 368.09033 Da |
| Heavy Atoms | 25 |
| Complexity | 533.0 |
| SMILES | CC1(CC2=C(C(=O)C1)C3=C(C(=N2)C(F)(F)F)[NH2+]C4=CC=CC=C43)C.[Cl-] |
| InChIKey | LXRRWSHHGOMDPK-UHFFFAOYSA-N |
The XLogP value of 0.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:239182. With a topological polar surface area (TPSA) of 46.6 Ų, RefChem:239182 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239182 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:239182 is 96725-30-3.
The molecular formula of RefChem:239182 is C18H16ClF3N2O.
The molecular weight of RefChem:239182 is 368.09033 g/mol.
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