TL;DR: 4H-1-Benzopyran-4-one, 8-[(dimethylamino)methyl]-7-hydroxy-2-phenyl- (CAS 27500-39-6) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(dimethylamino)methyl]-7-hydroxy-2-phenylchromen-4-one
Also Known As: 8-((Dimethylamino)methyl)-7-hydroxy-2-phenyl-4H-chromen-4-one, 8-[(dimethylamino)methyl]-7-hydroxy-2-phenyl-4h-chromen-4-one, 4H-1-Benzopyran-4-one, 8-[(dimethylamino)methyl]-7-hydroxy-2-phenyl-, 8-(dimethylaminomethyl)-7-hydroxy-2-phenylchromen-4-one, 8-(dimethylaminomethyl)-7-hydroxy-2-phenyl-chromen-4-one
| Molecular Formula | C18H17NO3 |
| Molecular Weight | 295.12085 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.12085 Da |
| Heavy Atoms | 22 |
| Complexity | 440.0 |
| SMILES | CN(C)CC1=C(C=CC2=C1OC(=CC2=O)C3=CC=CC=C3)O |
| InChIKey | CTTNILKNJDAMIA-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-4-one, 8-[(dimethylamino)methyl]-7-hydroxy-2-phenyl-. With a topological polar surface area (TPSA) of 49.8 Ų, 4H-1-Benzopyran-4-one, 8-[(dimethylamino)methyl]-7-hydroxy-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 8-[(dimethylamino)methyl]-7-hydroxy-2-phenyl- has 1 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, 8-[(dimethylamino)methyl]-7-hydroxy-2-phenyl- is 27500-39-6.
The molecular formula of 4H-1-Benzopyran-4-one, 8-[(dimethylamino)methyl]-7-hydroxy-2-phenyl- is C18H17NO3.
The molecular weight of 4H-1-Benzopyran-4-one, 8-[(dimethylamino)methyl]-7-hydroxy-2-phenyl- is 295.12085 g/mol.
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