TL;DR: 8-methyl-10-oxo-2,3,5,6-tetrahydro-1h,4h,10h-11-oxa-3a-aza-benzo[de]anthracene-9-carbaldehyde (CAS 142730-53-8) is a chemical compound with molecular formula C17H17NO3 and molecular weight 283.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene-5-carbaldehyde
Also Known As: 8-methyl-10-oxo-2,3,5,6-tetrahydro-1h,4h,10h-11-oxa-3a-aza-benzo[de]anthracene-9-carbaldehyde, BAS 01218060, BIM-0005249.P001, 9-methyl-11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbaldehyde, Z-2126
| Molecular Formula | C17H17NO3 |
| Molecular Weight | 283.12085 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.12085 Da |
| Heavy Atoms | 21 |
| Complexity | 512.0 |
| SMILES | CC1=C(C(=O)OC2=C1C=C3CCCN4C3=C2CCC4)C=O |
| InChIKey | ZBZZGJPDANZGGV-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-methyl-10-oxo-2,3,5,6-tetrahydro-1h,4h,10h-11-oxa-3a-aza-benzo[de]anthracene-9-carbaldehyde. With a topological polar surface area (TPSA) of 46.6 Ų, 8-methyl-10-oxo-2,3,5,6-tetrahydro-1h,4h,10h-11-oxa-3a-aza-benzo[de]anthracene-9-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-methyl-10-oxo-2,3,5,6-tetrahydro-1h,4h,10h-11-oxa-3a-aza-benzo[de]anthracene-9-carbaldehyde 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 8-methyl-10-oxo-2,3,5,6-tetrahydro-1h,4h,10h-11-oxa-3a-aza-benzo[de]anthracene-9-carbaldehyde is 142730-53-8.
The molecular formula of 8-methyl-10-oxo-2,3,5,6-tetrahydro-1h,4h,10h-11-oxa-3a-aza-benzo[de]anthracene-9-carbaldehyde is C17H17NO3.
The molecular weight of 8-methyl-10-oxo-2,3,5,6-tetrahydro-1h,4h,10h-11-oxa-3a-aza-benzo[de]anthracene-9-carbaldehyde is 283.12085 g/mol.
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