TL;DR: 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-(4-phenyl-1-piperazinyl)propoxy)-, dihydrochloride (CAS 148711-82-4) is a chemical compound with molecular formula C23H27ClN2O4 and molecular weight 430.16592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methoxy-8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one;hydrochloride
Also Known As: 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-(4-phenyl-1-piperazinyl)propoxy)-, dihydrochloride, 2,2'-BIPYRIDYLPALLADIUM DICHLORIDE, 8-(3-(4-Phenyl-1-piperazinyl)propoxy)-7-methoxycoumarin dihydrochloride, 7-Methoxy-8-(3-(4-phenyl-1-piperazinyl)propoxy)-2H-1-benzopyran-2-one dihydrochloride, 7-methoxy-8-[3- propoxy]chromen-2-onehydrochloride
| Molecular Formula | C23H27ClN2O4 |
| Molecular Weight | 430.16592 g/mol |
| XLogP | 3.8145 |
| Topological Polar Surface Area (TPSA) | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.16592 Da |
| Heavy Atoms | 30 |
| Complexity | 555.0 |
| SMILES | COC1=C(C2=C(C=C1)C=CC(=O)O2)OCCCN3CCN(CC3)C4=CC=CC=C4.Cl |
| InChIKey | FJOYOZZHQQKIRJ-UHFFFAOYSA-N |
The XLogP value of 3.8145 indicates that 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-(4-phenyl-1-piperazinyl)propoxy)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-(4-phenyl-1-piperazinyl)propoxy)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-(4-phenyl-1-piperazinyl)propoxy)-, dihydrochloride 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 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-(4-phenyl-1-piperazinyl)propoxy)-, dihydrochloride is 148711-82-4.
The molecular formula of 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-(4-phenyl-1-piperazinyl)propoxy)-, dihydrochloride is C23H27ClN2O4.
The molecular weight of 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-(4-phenyl-1-piperazinyl)propoxy)-, dihydrochloride is 430.16592 g/mol.
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