TL;DR: 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-8-(4-morpholinylmethyl)-2-(phenylmethyl)-, hydrochloride (CAS 138833-32-6) is a chemical compound with molecular formula C23H26ClNO4 and molecular weight 415.15503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzyl-7-methoxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-4-one;hydrochloride
Also Known As: 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-8-(4-morpholinylmethyl)-2-(phenylmethyl)-, hydrochloride, Chromone, 2-benzyl-7-methoxy-3-methyl-8-(morpholinomethyl)-, hydrochloride, 2-benzyl-7-methoxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-4-one hydrochloride, 2-Benzyl-7-methoxy-3-methyl-8-[(morpholin-4-yl)methyl]-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
| Molecular Formula | C23H26ClNO4 |
| Molecular Weight | 415.15503 g/mol |
| XLogP | 3.95482 |
| Topological Polar Surface Area (TPSA) | 48.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.15503 Da |
| Heavy Atoms | 29 |
| Complexity | 577.0 |
| SMILES | CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCOCC3)OC)CC4=CC=CC=C4.Cl |
| InChIKey | WPIIIWDRDFZLPF-UHFFFAOYSA-N |
The XLogP value of 3.95482 indicates that 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-8-(4-morpholinylmethyl)-2-(phenylmethyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-8-(4-morpholinylmethyl)-2-(phenylmethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-8-(4-morpholinylmethyl)-2-(phenylmethyl)-, hydrochloride has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-8-(4-morpholinylmethyl)-2-(phenylmethyl)-, hydrochloride is 138833-32-6.
The molecular formula of 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-8-(4-morpholinylmethyl)-2-(phenylmethyl)-, hydrochloride is C23H26ClNO4.
The molecular weight of 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-8-(4-morpholinylmethyl)-2-(phenylmethyl)-, hydrochloride is 415.15503 g/mol.
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