TL;DR: 4H-1-Benzopyran-4-one, 2,3-dihydro-6,7-dimethoxy-2,2-dimethyl- (CAS 65383-61-1) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dimethoxy-2,2-dimethyl-3H-chromen-4-one
Also Known As: Maybridge4_002955, 6,7-Dimethoxy-2,2-Dimethyl-4-Chloromanone, 6,7-Dimethoxy-2,2-dimethyl-4-chromanone, 6,7-dimethoxy-2,2-dimethylchroman-4-one, 2,2-Dimethyl-6,7-dimethoxy-4-chromanone
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.10486 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.10486 Da |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
| SMILES | CC1(CC(=O)C2=CC(=C(C=C2O1)OC)OC)C |
| InChIKey | OMWVNQFGCGNZHE-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-4-one, 2,3-dihydro-6,7-dimethoxy-2,2-dimethyl-. With a topological polar surface area (TPSA) of 44.8 Ų, 4H-1-Benzopyran-4-one, 2,3-dihydro-6,7-dimethoxy-2,2-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 2,3-dihydro-6,7-dimethoxy-2,2-dimethyl- 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 4H-1-Benzopyran-4-one, 2,3-dihydro-6,7-dimethoxy-2,2-dimethyl- is 65383-61-1.
The molecular formula of 4H-1-Benzopyran-4-one, 2,3-dihydro-6,7-dimethoxy-2,2-dimethyl- is C13H16O4.
The molecular weight of 4H-1-Benzopyran-4-one, 2,3-dihydro-6,7-dimethoxy-2,2-dimethyl- is 236.10486 g/mol.
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