TL;DR: BAS 00444382 (CAS 1448806-09-4) is a chemical compound with molecular formula C13H13ClN4O2 and molecular weight 292.0727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[[(E)-(4-chlorophenyl)methylideneamino]-methylamino]-3-methyl-1H-pyrimidine-2,4-dione
Also Known As: BAS 00444382, J2.883.537J, 3-Methyl-6-[1-methyl-2-(4-chlorobenzylidene)hydrazino]uracil, 6-[(2E)-2-(4-chlorobenzylidene)-1-methylhydrazinyl]-3-methylpyrimidine-2,4(1H,3H)-dione, (E)-6-(2-(4-chlorobenzylidene)-1-methylhydrazinyl)-3-methylpyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C13H13ClN4O2 |
| Molecular Weight | 292.0727 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.0727 Da |
| Heavy Atoms | 20 |
| Complexity | 455.0 |
| SMILES | CN1C(=O)C=C(NC1=O)N(C)/N=C/C2=CC=C(C=C2)Cl |
| InChIKey | WIEILEAIGWTWDX-OVCLIPMQSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00444382. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00444382. Following Lipinski's Rule of Five, BAS 00444382 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 BAS 00444382 is 1448806-09-4.
The molecular formula of BAS 00444382 is C13H13ClN4O2.
The molecular weight of BAS 00444382 is 292.0727 g/mol.
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