TL;DR: (2S,3R)-2-(2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-methylpentanoic acid (CAS 1173674-70-8) is a chemical compound with molecular formula C21H23NO6 and molecular weight 385.15253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R)-2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylpentanoic acid
Also Known As: (2S,3R)-2-(2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-methylpentanoic acid, (2S,3R)-2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylpentanoic acid
| Molecular Formula | C21H23NO6 |
| Molecular Weight | 385.15253 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.15253 Da |
| Heavy Atoms | 28 |
| Complexity | 686.0 |
| SMILES | CC[C@@H](C)[C@@H](C(=O)O)NC(=O)CC1=C(C2=C(C=C3C(=C2)C(=CO3)C)OC1=O)C |
| InChIKey | JBZBRWDJWNACCC-DGIBIBHMSA-N |
The XLogP value of 3.1 indicates that (2S,3R)-2-(2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-methylpentanoic 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 (2S,3R)-2-(2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-methylpentanoic acid. Following Lipinski's Rule of Five, (2S,3R)-2-(2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-methylpentanoic 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 (2S,3R)-2-(2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-methylpentanoic acid is 1173674-70-8.
The molecular formula of (2S,3R)-2-(2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-methylpentanoic acid is C21H23NO6.
The molecular weight of (2S,3R)-2-(2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-methylpentanoic acid is 385.15253 g/mol.
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