TL;DR: {[(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetyl]amino}(phenyl)acetic acid (CAS 1030938-34-1) is a chemical compound with molecular formula C29H23NO6 and molecular weight 481.15253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-(2,5-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]-2-phenylacetic acid
Also Known As: {[(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetyl]amino}(phenyl)acetic acid, 2-(2-(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)-2-phenylacetic acid, 2-[[2-(2,5-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]-2-phenylacetic acid
| Molecular Formula | C29H23NO6 |
| Molecular Weight | 481.15253 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.15253 Da |
| Heavy Atoms | 36 |
| Complexity | 886.0 |
| SMILES | CC1=C(C(=O)OC2=CC3=C(C=C12)C(=C(O3)C)C4=CC=CC=C4)CC(=O)NC(C5=CC=CC=C5)C(=O)O |
| InChIKey | FDPKNDPIJLVNRD-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that {[(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetyl]amino}(phenyl)acetic 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 {[(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetyl]amino}(phenyl)acetic acid. Following Lipinski's Rule of Five, {[(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetyl]amino}(phenyl)acetic 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 {[(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetyl]amino}(phenyl)acetic acid is 1030938-34-1.
The molecular formula of {[(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetyl]amino}(phenyl)acetic acid is C29H23NO6.
The molecular weight of {[(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetyl]amino}(phenyl)acetic acid is 481.15253 g/mol.
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