TL;DR: 4H-1-Benzopyran-4-one, 2,3-dihydro-8-hydroxy-5,6,7-trimethoxy-2-phenyl- (CAS 158848-28-3) is a chemical compound with molecular formula C18H18O6 and molecular weight 330.11035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-hydroxy-5,6,7-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one
Also Known As: Kwangsienin A, 8-Hydroxy-5,6,7-trimethoxy-2-phenylchroman-4-one, 1,2-Dihydro-1,2-dihydroxydibenzo(a)pyrene, 4H-1-Benzopyran-4-one, 2,3-dihydro-8-hydroxy-5,6,7-trimethoxy-2-phenyl-, 8-hydroxy-5,6,7-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one
| Molecular Formula | C18H18O6 |
| Molecular Weight | 330.11035 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 74.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.11035 Da |
| Heavy Atoms | 24 |
| Complexity | 435.0 |
| SMILES | COC1=C(C(=C(C2=C1C(=O)CC(O2)C3=CC=CC=C3)O)OC)OC |
| InChIKey | OHMCJAVUWDAGRU-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-4-one, 2,3-dihydro-8-hydroxy-5,6,7-trimethoxy-2-phenyl-. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1-Benzopyran-4-one, 2,3-dihydro-8-hydroxy-5,6,7-trimethoxy-2-phenyl-. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 2,3-dihydro-8-hydroxy-5,6,7-trimethoxy-2-phenyl- 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 4H-1-Benzopyran-4-one, 2,3-dihydro-8-hydroxy-5,6,7-trimethoxy-2-phenyl- is 158848-28-3.
The molecular formula of 4H-1-Benzopyran-4-one, 2,3-dihydro-8-hydroxy-5,6,7-trimethoxy-2-phenyl- is C18H18O6.
The molecular weight of 4H-1-Benzopyran-4-one, 2,3-dihydro-8-hydroxy-5,6,7-trimethoxy-2-phenyl- is 330.11035 g/mol.
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