TL;DR: (E)-3-(4-Fluoro-3-methylphenyl)-N-methoxy-7-methyl-7,8-dihydro-6H-cinnolin-5-imine (CAS 1024811-13-9) is a chemical compound with molecular formula C17H18FN3O and molecular weight 299.1434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-fluoro-3-methylphenyl)-N-methoxy-7-methyl-7,8-dihydro-6H-cinnolin-5-imine
Also Known As: (E)-3-(4-Fluoro-3-methylphenyl)-N-methoxy-7-methyl-7,8-dihydro-6H-cinnolin-5-imine, (5E)-3-(4-fluoro-3-methylphenyl)-N-methoxy-7-methyl-5,6,7,8-tetrahydrocinnolin-5-imine, aza(3-(4-fluoro-3-methylphenyl)-7-methyl(6,7,8-trihydrocinnolin-5-ylidene))methoxymethane
| Molecular Formula | C17H18FN3O |
| Molecular Weight | 299.1434 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 47.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.1434 Da |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
| SMILES | CC1CC2=NN=C(C=C2/C(=N/OC)/C1)C3=CC(=C(C=C3)F)C |
| InChIKey | CUSRGEAFLNBMJW-HEHNFIMWSA-N |
The XLogP value of 3.1 indicates that (E)-3-(4-Fluoro-3-methylphenyl)-N-methoxy-7-methyl-7,8-dihydro-6H-cinnolin-5-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.4 Ų, (E)-3-(4-Fluoro-3-methylphenyl)-N-methoxy-7-methyl-7,8-dihydro-6H-cinnolin-5-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(4-Fluoro-3-methylphenyl)-N-methoxy-7-methyl-7,8-dihydro-6H-cinnolin-5-imine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-3-(4-Fluoro-3-methylphenyl)-N-methoxy-7-methyl-7,8-dihydro-6H-cinnolin-5-imine is 1024811-13-9.
The molecular formula of (E)-3-(4-Fluoro-3-methylphenyl)-N-methoxy-7-methyl-7,8-dihydro-6H-cinnolin-5-imine is C17H18FN3O.
The molecular weight of (E)-3-(4-Fluoro-3-methylphenyl)-N-methoxy-7-methyl-7,8-dihydro-6H-cinnolin-5-imine is 299.1434 g/mol.
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