TL;DR: 7-(4-methoxyphenyl)-5-phenyl-1,2,3,4,4a,5-hexahydro[1,3]benzoxazolo[2,3-j]quinoline (CAS 1212190-41-4) is a chemical compound with molecular formula C28H27NO2 and molecular weight 409.2042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-(4-methoxyphenyl)-7-phenyl-17-oxa-10-azatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,13,15-tetraene
Also Known As: 7-(4-methoxyphenyl)-5-phenyl-1,2,3,4,4a,5-hexahydro[1,3]benzoxazolo[2,3-j]quinoline, 7-(4-methoxyphenyl)-5-phenyl-1,2,3,4,4a,5-hexahydrobenzo[4,5]oxazolo[2,3-j]quinoline
| Molecular Formula | C28H27NO2 |
| Molecular Weight | 409.2042 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.2042 Da |
| Heavy Atoms | 31 |
| Complexity | 662.0 |
| SMILES | COC1=CC=C(C=C1)C2=CC(C3CCCCC34N2C5=CC=CC=C5O4)C6=CC=CC=C6 |
| InChIKey | HGGPYRPVMWSYOB-UHFFFAOYSA-N |
The XLogP value of 6.9 indicates that 7-(4-methoxyphenyl)-5-phenyl-1,2,3,4,4a,5-hexahydro[1,3]benzoxazolo[2,3-j]quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, 7-(4-methoxyphenyl)-5-phenyl-1,2,3,4,4a,5-hexahydro[1,3]benzoxazolo[2,3-j]quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(4-methoxyphenyl)-5-phenyl-1,2,3,4,4a,5-hexahydro[1,3]benzoxazolo[2,3-j]quinoline has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 7-(4-methoxyphenyl)-5-phenyl-1,2,3,4,4a,5-hexahydro[1,3]benzoxazolo[2,3-j]quinoline is 1212190-41-4.
The molecular formula of 7-(4-methoxyphenyl)-5-phenyl-1,2,3,4,4a,5-hexahydro[1,3]benzoxazolo[2,3-j]quinoline is C28H27NO2.
The molecular weight of 7-(4-methoxyphenyl)-5-phenyl-1,2,3,4,4a,5-hexahydro[1,3]benzoxazolo[2,3-j]quinoline is 409.2042 g/mol.
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