TL;DR: N-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-4-yl)methyl]norvaline (CAS 1396966-46-3) is a chemical compound with molecular formula C19H23NO5 and molecular weight 345.15762 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methylamino]pentanoic acid
Also Known As: EiM07-19687, N-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-4-yl)methyl]norvaline, 2-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methylamino]pentanoic acid, 2-(((3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-4-yl)methyl)amino)pentanoic acid, 2-[({3-HYDROXY-6-OXO-6H,7H,8H,9H,10H-CYCLOHEXA[C]CHROMEN-4-YL}METHYL)AMINO]PENTANOIC ACID
| Molecular Formula | C19H23NO5 |
| Molecular Weight | 345.15762 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.15762 Da |
| Heavy Atoms | 25 |
| Complexity | 558.0 |
| SMILES | CCCC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)O |
| InChIKey | XYIXRUSSFODCSE-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-4-yl)methyl]norvaline. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-4-yl)methyl]norvaline. Following Lipinski's Rule of Five, N-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-4-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-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-4-yl)methyl]norvaline is 1396966-46-3.
The molecular formula of N-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-4-yl)methyl]norvaline is C19H23NO5.
The molecular weight of N-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-4-yl)methyl]norvaline is 345.15762 g/mol.
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