TL;DR: 1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone (CAS 117536-12-6) is a chemical compound with molecular formula C15H17Cl2NO and molecular weight 297.06873 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone
Also Known As: BAS 00107967, 1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone, 3-acetyl-1,1-dichloro-2,2,7b-trimethyl-1,2,3,1a,7b-pentahydrocyclopropa[2,1-c] quinoline, 1-(1,1-dichloro-2,2,7b-trimethyl-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl)ethanone, 1-(1,1-DICHLORO-2,2,7B-TRIMETHYL-4H-3-AZA-CYCLOPROPA(A)NAPHTHALEN-3-YL)-ETHANONE
| Molecular Formula | C15H17Cl2NO |
| Molecular Weight | 297.06873 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 297.06873 Da |
| Heavy Atoms | 19 |
| Complexity | 434.0 |
| SMILES | CC(=O)N1C2=CC=CC=C2C3(C(C1(C)C)C3(Cl)Cl)C |
| InChIKey | SLIIAUTXRQDXIK-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone is 117536-12-6.
The molecular formula of 1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone is C15H17Cl2NO.
The molecular weight of 1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone is 297.06873 g/mol.
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