TL;DR: 4-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid (CAS 1173678-17-5) is a chemical compound with molecular formula C19H21NO6 and molecular weight 359.1369 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
Also Known As: 4-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid, 4-({[(7-hydroxy-2-oxo-2H-chromen-4-yl)acetyl]amino}methyl)cyclohexanecarboxylic acid, 4-[[[2-(7-hydroxy-2-keto-chromen-4-yl)acetyl]amino]methyl]cyclohexanecarboxylic acid, (1s,4s)-4-((2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamido)methyl)cyclohexanecarboxylic acid, 4-[[[2-(7-hydroxy-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid
| Molecular Formula | C19H21NO6 |
| Molecular Weight | 359.1369 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.1369 Da |
| Heavy Atoms | 26 |
| Complexity | 593.0 |
| SMILES | C1CC(CCC1CNC(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O)C(=O)O |
| InChIKey | NVIWNXPQHBCMDR-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid. Following Lipinski's Rule of Five, 4-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid 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 4-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid is 1173678-17-5.
The molecular formula of 4-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid is C19H21NO6.
The molecular weight of 4-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid is 359.1369 g/mol.
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