(4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-1H-indeno(5,4-F)quinoline-7-carboxamide
TL;DR: (4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-1H-indeno(5,4-F)quinoline-7-carboxamide (CAS 188754-67-8) is a chemical compound with molecular formula C28H32F6N2O2 and molecular weight 542.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
Also Known As: (4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-1H-indeno(5,4-F)quinoline-7-carboxamide, 1H-Indeno(5,4-F)quinoline-7-carboxamide, 2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-, (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4a,6a-dimethyl-2-oxo-1H,2H,4aH,4bH,5H,6H,6aH,7H,8H,9H,9aH,9bH,10H,11H,11aH-indeno[5,4-f]quinoline-7-carboxamide, 17beta-[(1-Trifluoromethyl-1-phenyl-2,2,2-trifluoroethyl)carbamoyl]-4-aza-5alpha-androsta-1-ene-3-one
| Molecular Formula | C28H32F6N2O2 |
|---|---|
| Molecular Weight | 542.24 g/mol |
| LogP | 6.0361 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 542.2368 |
| Heavy Atoms | 38 |
| Complexity | 1118.3933 |
Chemical Identifiers
| CAS Number | 188754-67-8 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C4=CC=CC=C4)(C(F)(F)F)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)C |
Product Overview
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-1H-indeno(5,4-F)quinoline-7-carboxamide (CAS 188754-67-8), with molecular formula C28H32F6N2O2 and molecular weight 542.24 g/mol. IUPAC: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide.
Chemical Property Profile of (4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-1H-indeno(5,4-F)quinoline-7-carboxamide
Property Insights of (4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-1H-indeno(5,4-F)quinoline-7-carboxamide
The XLogP value of 6.0361 indicates that (4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-1H-indeno(5,4-F)quinoline-7-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-1H-indeno(5,4-F)quinoline-7-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-1H-indeno(5,4-F)quinoline-7-carboxamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-1H-indeno(5,4-F)quinoline-7-carboxamide?
The CAS number of (4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-1H-indeno(5,4-F)quinoline-7-carboxamide is 188754-67-8.
What is the molecular formula of (4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-1H-indeno(5,4-F)quinoline-7-carboxamide?
The molecular formula of (4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-1H-indeno(5,4-F)quinoline-7-carboxamide is C28H32F6N2O2.
What is the molecular weight of (4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-1H-indeno(5,4-F)quinoline-7-carboxamide?
The molecular weight of (4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-1H-indeno(5,4-F)quinoline-7-carboxamide is 542.24 g/mol.
Where can I buy (4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-1H-indeno(5,4-F)quinoline-7-carboxamide?
You can request a quote for (4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-1H-indeno(5,4-F)quinoline-7-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-1H-indeno(5,4-F)quinoline-7-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-N-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl)-1H-indeno(5,4-F)quinoline-7-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.