TL;DR: Aza(3-(4-bromophenyl)-7-ethyl(6,7,8-trihydrocinnolin-5-ylidene))methoxymethane (CAS 1024885-45-7) is a chemical compound with molecular formula C17H18BrN3O and molecular weight 359.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-bromophenyl)-7-ethyl-N-methoxy-7,8-dihydro-6H-cinnolin-5-imine
Also Known As: aza(3-(4-bromophenyl)-7-ethyl(6,7,8-trihydrocinnolin-5-ylidene))methoxymethane, (E)-3-(4-bromophenyl)-7-ethyl-N-methoxy-7,8-dihydro-6H-cinnolin-5-imine, (5E)-3-(4-bromophenyl)-7-ethyl-N-methoxy-5,6,7,8-tetrahydrocinnolin-5-imine
| Molecular Formula | C17H18BrN3O |
| Molecular Weight | 359.06332 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 47.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.06332 Da |
| Heavy Atoms | 22 |
| Complexity | 395.0 |
| SMILES | CCC1CC2=NN=C(C=C2/C(=N/OC)/C1)C3=CC=C(C=C3)Br |
| InChIKey | ZTUGOPPWZDJEOW-HEHNFIMWSA-N |
The XLogP value of 3.9 indicates that Aza(3-(4-bromophenyl)-7-ethyl(6,7,8-trihydrocinnolin-5-ylidene))methoxymethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.4 Ų, Aza(3-(4-bromophenyl)-7-ethyl(6,7,8-trihydrocinnolin-5-ylidene))methoxymethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aza(3-(4-bromophenyl)-7-ethyl(6,7,8-trihydrocinnolin-5-ylidene))methoxymethane has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Aza(3-(4-bromophenyl)-7-ethyl(6,7,8-trihydrocinnolin-5-ylidene))methoxymethane is 1024885-45-7.
The molecular formula of Aza(3-(4-bromophenyl)-7-ethyl(6,7,8-trihydrocinnolin-5-ylidene))methoxymethane is C17H18BrN3O.
The molecular weight of Aza(3-(4-bromophenyl)-7-ethyl(6,7,8-trihydrocinnolin-5-ylidene))methoxymethane is 359.06332 g/mol.
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