TL;DR: 8-Methylpsoralen (CAS 15912-88-6) is a chemical compound with molecular formula C12H8O3 and molecular weight 200.04735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-methylfuro[3,2-g]chromen-7-one
Also Known As: 8-Methylpsoralen, 8-Methylpsoralene, methyl-8 psoralene, PSORALEN,8-METHYL, 9-methylfuro[3,2-g]chromen-7-one
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H8O3 |
| Molecular Weight | 200.04735 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.04735 Da |
| Heavy Atoms | 15 |
| Complexity | 310.0 |
| SMILES | CC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2 |
| InChIKey | IVUMRIXSXVKOMB-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Methylpsoralen. With a topological polar surface area (TPSA) of 39.4 Ų, 8-Methylpsoralen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Methylpsoralen has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 8-Methylpsoralen is 15912-88-6.
The molecular formula of 8-Methylpsoralen is C12H8O3.
The molecular weight of 8-Methylpsoralen is 200.04735 g/mol.
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