TL;DR: 7-(4-hydroxyphenyl)-5-phenyl-3,4,4a,5-tetrahydro-1H-benzo[4,5]imidazo[2,1-j]quinolin-10(2H)-one (CAS 1005096-44-5) is a chemical compound with molecular formula C27H24N2O2 and molecular weight 408.18378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-(4-hydroxyphenyl)-7-phenyl-10,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,14,16-tetraen-13-one
Also Known As: 7-(4-hydroxyphenyl)-5-phenyl-3,4,4a,5-tetrahydro-1H-benzo[4,5]imidazo[2,1-j]quinolin-10(2H)-one
| Molecular Formula | C27H24N2O2 |
| Molecular Weight | 408.18378 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.18378 Da |
| Heavy Atoms | 31 |
| Complexity | 870.0 |
| SMILES | C1CCC23C(C1)C(C=C(N2C4=CC(=O)C=CC4=N3)C5=CC=C(C=C5)O)C6=CC=CC=C6 |
| InChIKey | SNOJHUGTPWMMOU-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 7-(4-hydroxyphenyl)-5-phenyl-3,4,4a,5-tetrahydro-1H-benzo[4,5]imidazo[2,1-j]quinolin-10(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 7-(4-hydroxyphenyl)-5-phenyl-3,4,4a,5-tetrahydro-1H-benzo[4,5]imidazo[2,1-j]quinolin-10(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(4-hydroxyphenyl)-5-phenyl-3,4,4a,5-tetrahydro-1H-benzo[4,5]imidazo[2,1-j]quinolin-10(2H)-one has 1 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 7-(4-hydroxyphenyl)-5-phenyl-3,4,4a,5-tetrahydro-1H-benzo[4,5]imidazo[2,1-j]quinolin-10(2H)-one is 1005096-44-5.
The molecular formula of 7-(4-hydroxyphenyl)-5-phenyl-3,4,4a,5-tetrahydro-1H-benzo[4,5]imidazo[2,1-j]quinolin-10(2H)-one is C27H24N2O2.
The molecular weight of 7-(4-hydroxyphenyl)-5-phenyl-3,4,4a,5-tetrahydro-1H-benzo[4,5]imidazo[2,1-j]quinolin-10(2H)-one is 408.18378 g/mol.
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