TL;DR: N-[(7-hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl]norvaline (CAS 1396963-61-3) is a chemical compound with molecular formula C21H21NO5 and molecular weight 367.14197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(7-hydroxy-2-oxo-4-phenylchromen-8-yl)methylamino]pentanoic acid
Also Known As: EiM07-16754, N-[(7-hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl]norvaline, 2-(((7-hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)amino)pentanoic acid, 2-[(7-hydroxy-2-oxo-4-phenyl-chromen-8-yl)methylamino]pentanoic Acid, 2-[(7-hydroxy-2-oxo-4-phenylchromen-8-yl)methylamino]pentanoic acid
| Molecular Formula | C21H21NO5 |
| Molecular Weight | 367.14197 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 367.14197 Da |
| Heavy Atoms | 27 |
| Complexity | 569.0 |
| SMILES | CCCC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O |
| InChIKey | JPEGRUWLJUUWFY-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(7-hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl]norvaline. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(7-hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl]norvaline. Following Lipinski's Rule of Five, N-[(7-hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl]norvaline has 3 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 N-[(7-hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl]norvaline is 1396963-61-3.
The molecular formula of N-[(7-hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl]norvaline is C21H21NO5.
The molecular weight of N-[(7-hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl]norvaline is 367.14197 g/mol.
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