TL;DR: 2-(2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-2-phenylacetic acid (CAS 1098133-44-8) is a chemical compound with molecular formula C23H19NO6 and molecular weight 405.12125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-2-phenylacetic acid
Also Known As: 2-(2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-2-phenylacetic acid, {[(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]amino}(phenyl)acetic acid, 2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-2-phenylacetic acid
| Molecular Formula | C23H19NO6 |
| Molecular Weight | 405.12125 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.12125 Da |
| Heavy Atoms | 30 |
| Complexity | 740.0 |
| SMILES | CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NC(C4=CC=CC=C4)C(=O)O)C |
| InChIKey | AJUBPVJLWLQJAM-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2-(2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-2-phenylacetic 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 2-(2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-2-phenylacetic acid. Following Lipinski's Rule of Five, 2-(2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-2-phenylacetic acid has 2 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 2-(2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-2-phenylacetic acid is 1098133-44-8.
The molecular formula of 2-(2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-2-phenylacetic acid is C23H19NO6.
The molecular weight of 2-(2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-2-phenylacetic acid is 405.12125 g/mol.
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