TL;DR: Bemoradan (CAS 123169-88-0) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.0957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one
Also Known As: BEMORADAN, Bemoradanum, Bemoradan [USAN:INN], Bemoradanum [INN-Latin], BEMORADAN [INN]
| Molecular Formula | C13H13N3O3 |
| Molecular Weight | 259.0957 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.0957 Da |
| Heavy Atoms | 19 |
| Complexity | 435.0 |
| SMILES | CC1CC(=O)NN=C1C2=CC3=C(C=C2)NC(=O)CO3 |
| InChIKey | XZPGINPFWXLYNW-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bemoradan. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Bemoradan. Following Lipinski's Rule of Five, Bemoradan has 2 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 Bemoradan is 123169-88-0.
The molecular formula of Bemoradan is C13H13N3O3.
The molecular weight of Bemoradan is 259.0957 g/mol.
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