TL;DR: RefChem:288272 (CAS 52130-31-1) is a chemical compound with molecular formula C15H10N4O4 and molecular weight 310.0702 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[5-[(5-hydroxy-2,4-dioxoimidazolidin-1-yl)iminomethyl]furan-2-yl]benzonitrile
Also Known As: 4-[5-[[(5-Hydroxy-2,4-dioxo-1-imidazolidinyl)imino]methyl]-2-furanyl]benzonitrile, 4-(5-(((5-Hydroxy-2,4-dioxo-1-imidazolidinyl)imino)methyl)-2-furanyl)benzonitrile, 4-(5-{[(5-Hydroxy-2,4-dioxoimidazolidin-1-yl)imino]methyl}furan-2-yl)benzonitrile
| Molecular Formula | C15H10N4O4 |
| Molecular Weight | 310.0702 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.0702 Da |
| Heavy Atoms | 23 |
| Complexity | 561.0 |
| SMILES | C1=CC(=CC=C1C#N)C2=CC=C(O2)C=NN3C(C(=O)NC3=O)O |
| InChIKey | JGHPPNAYVJKCEL-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:288272. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:288272. Following Lipinski's Rule of Five, RefChem:288272 has 2 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 RefChem:288272 is 52130-31-1.
The molecular formula of RefChem:288272 is C15H10N4O4.
The molecular weight of RefChem:288272 is 310.0702 g/mol.
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