TL;DR: BAS 00444386 (CAS 1448808-32-9) is a chemical compound with molecular formula C15H18N4O4 and molecular weight 318.1328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[[(E)-(3,4-dimethoxyphenyl)methylideneamino]-methylamino]-3-methyl-1H-pyrimidine-2,4-dione
Also Known As: BAS 00444386, BRD-K99046649-001-01-5, 6-[(2E)-2-(3,4-dimethoxybenzylidene)-1-methylhydrazinyl]-3-methylpyrimidine-2,4(1H,3H)-dione, (E)-6-(2-(3,4-dimethoxybenzylidene)-1-methylhydrazinyl)-3-methylpyrimidine-2,4(1H,3H)-dione, 6-[(2E)-2-(3,4-dimethoxybenzylidene)-1-methylhydrazinyl]-2-hydroxy-3-methylpyrimidin-4(3H)-one
| Molecular Formula | C15H18N4O4 |
| Molecular Weight | 318.1328 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 83.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.1328 Da |
| Heavy Atoms | 23 |
| Complexity | 520.0 |
| SMILES | CN1C(=O)C=C(NC1=O)N(C)/N=C/C2=CC(=C(C=C2)OC)OC |
| InChIKey | ALDAPEUACGMZAV-CXUHLZMHSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00444386. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00444386. Following Lipinski's Rule of Five, BAS 00444386 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 00444386 is 1448808-32-9.
The molecular formula of BAS 00444386 is C15H18N4O4.
The molecular weight of BAS 00444386 is 318.1328 g/mol.
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