TL;DR: 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one (CAS 160858-31-1) is a chemical compound with molecular formula C17H16O6 and molecular weight 316.0947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one
Also Known As: HOO-MBM-furocoumarin, 4-(3-hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one, 4-(3-Hydroperoxy-3-methyl-1-butenyl)-9-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one, 7H-Furo[3,2-g][1]benzopyran-7-one,4-(3-hydroperoxy-3-methyl-1-buten-1-yl)-9-methoxy-
| Molecular Formula | C17H16O6 |
| Molecular Weight | 316.0947 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0947 Da |
| Heavy Atoms | 23 |
| Complexity | 511.0 |
| SMILES | CC(C)(C=CC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)OC)OO |
| InChIKey | JUFMJFCBUMNBJS-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one. Following Lipinski's Rule of Five, 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one 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 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one is 160858-31-1.
The molecular formula of 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one is C17H16O6.
The molecular weight of 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one is 316.0947 g/mol.
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