TL;DR: 3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 1-acetyl-6-bromo-4-methyl- (CAS 63723-54-6) is a chemical compound with molecular formula C19H12BrNO3 and molecular weight 381.00006 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-bromo-16-(1-hydroxyethylidene)-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione
Also Known As: 1-Acetyl-6-bromo-4-methyl-3H-dibenz(f,ij)isoquinoline-2,7-dione, 3H-Naphtho(1,2,3-de)quinoline-2,7-dione, 1-acetyl-6-bromo-4-methyl-, 3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 1-acetyl-6-bromo-4-methyl-
| Molecular Formula | C19H12BrNO3 |
| Molecular Weight | 381.00006 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 66.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 381.00006 Da |
| Heavy Atoms | 24 |
| Complexity | 854.0 |
| SMILES | CC1=CC(=C2C3=C(C4=CC=CC=C4C2=O)C(=C(C)O)C(=O)N=C13)Br |
| InChIKey | QJHXPYKLCBXHLR-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 1-acetyl-6-bromo-4-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 1-acetyl-6-bromo-4-methyl-. Following Lipinski's Rule of Five, 3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 1-acetyl-6-bromo-4-methyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 1-acetyl-6-bromo-4-methyl- is 63723-54-6.
The molecular formula of 3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 1-acetyl-6-bromo-4-methyl- is C19H12BrNO3.
The molecular weight of 3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 1-acetyl-6-bromo-4-methyl- is 381.00006 g/mol.
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