TL;DR: 3-(4-chlorophenyl)-2-(2-(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)propanoic acid (CAS 1214687-88-3) is a chemical compound with molecular formula C30H24ClNO6 and molecular weight 529.1292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-2-[[2-(2,5-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]propanoic acid
Also Known As: 3-(4-chlorophenyl)-2-(2-(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)propanoic acid, 4-chloro-N-[(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetyl]phenylalanine, 3-(4-chlorophenyl)-2-[[2-(2,5-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]propanoic acid
| Molecular Formula | C30H24ClNO6 |
| Molecular Weight | 529.1292 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 529.1292 Da |
| Heavy Atoms | 38 |
| Complexity | 937.0 |
| SMILES | CC1=C(C(=O)OC2=CC3=C(C=C12)C(=C(O3)C)C4=CC=CC=C4)CC(=O)NC(CC5=CC=C(C=C5)Cl)C(=O)O |
| InChIKey | NLHKZWUMUNUODH-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 3-(4-chlorophenyl)-2-(2-(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-2-(2-(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)propanoic acid. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-2-(2-(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)propanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(4-chlorophenyl)-2-(2-(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)propanoic acid is 1214687-88-3.
The molecular formula of 3-(4-chlorophenyl)-2-(2-(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)propanoic acid is C30H24ClNO6.
The molecular weight of 3-(4-chlorophenyl)-2-(2-(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)propanoic acid is 529.1292 g/mol.
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