TL;DR: 7H-Furo(3,2-g)(1)benzopyran-7-one, 3-(methoxymethyl)-2,5,9-trimethyl- (CAS 62442-60-8) is a chemical compound with molecular formula C16H16O4 and molecular weight 272.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(methoxymethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one
Also Known As: 4'-methoxymethyl-4,5',8-trimethylpsoralen, 4'-(Methoxymethyl)-4,5',8-trimethylfurocoumarin, J1.059.372G, 7H-Furo(3,2-g)(1)benzopyran-7-one, 3-(methoxymethyl)-2,5,9-trimethyl-, 7H-Furo[3, 3-(methoxymethyl)-2,5,9-trimethyl-
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H16O4 |
| Molecular Weight | 272.10486 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 48.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.10486 Da |
| Heavy Atoms | 20 |
| Complexity | 430.0 |
| SMILES | CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)COC)C |
| InChIKey | UPAKHQWBZFCLMG-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7H-Furo(3,2-g)(1)benzopyran-7-one, 3-(methoxymethyl)-2,5,9-trimethyl-. With a topological polar surface area (TPSA) of 48.7 Ų, 7H-Furo(3,2-g)(1)benzopyran-7-one, 3-(methoxymethyl)-2,5,9-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7H-Furo(3,2-g)(1)benzopyran-7-one, 3-(methoxymethyl)-2,5,9-trimethyl- has 0 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 7H-Furo(3,2-g)(1)benzopyran-7-one, 3-(methoxymethyl)-2,5,9-trimethyl- is 62442-60-8.
The molecular formula of 7H-Furo(3,2-g)(1)benzopyran-7-one, 3-(methoxymethyl)-2,5,9-trimethyl- is C16H16O4.
The molecular weight of 7H-Furo(3,2-g)(1)benzopyran-7-one, 3-(methoxymethyl)-2,5,9-trimethyl- is 272.10486 g/mol.
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