TL;DR: 3-(3-(4-chlorophenyl)-2-(2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido)propanamido)propanoic acid (CAS 1214074-41-5) is a chemical compound with molecular formula C26H27ClN2O7 and molecular weight 514.1507 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[3-(4-chlorophenyl)-2-[[2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]propanoyl]amino]propanoic acid
Also Known As: 3-(3-(4-chlorophenyl)-2-(2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido)propanamido)propanoic acid, 4-chloro-N-[(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]phenylalanyl-beta-alanine, 3-[[3-(4-chlorophenyl)-2-[[2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]propanoyl]amino]propanoic acid
| Molecular Formula | C26H27ClN2O7 |
| Molecular Weight | 514.1507 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 514.1507 Da |
| Heavy Atoms | 36 |
| Complexity | 868.0 |
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2C)OC)CC(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)NCCC(=O)O |
| InChIKey | ZOOOEWBQRVYCKA-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-(4-chlorophenyl)-2-(2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido)propanamido)propanoic acid. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-(4-chlorophenyl)-2-(2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido)propanamido)propanoic acid. Following Lipinski's Rule of Five, 3-(3-(4-chlorophenyl)-2-(2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido)propanamido)propanoic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(3-(4-chlorophenyl)-2-(2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido)propanamido)propanoic acid is 1214074-41-5.
The molecular formula of 3-(3-(4-chlorophenyl)-2-(2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido)propanamido)propanoic acid is C26H27ClN2O7.
The molecular weight of 3-(3-(4-chlorophenyl)-2-(2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido)propanamido)propanoic acid is 514.1507 g/mol.
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