TL;DR: (S)-2-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide (CAS 1212140-92-5) is a chemical compound with molecular formula C24H31NO5 and molecular weight 413.2202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide
Also Known As: (S)-2-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide, 2-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide, 2-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide
| Molecular Formula | C24H31NO5 |
| Molecular Weight | 413.2202 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.2202 Da |
| Heavy Atoms | 30 |
| Complexity | 692.0 |
| SMILES | CC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C(C)(C)C)CC(=O)N[C@@H](CC(C)C)CO |
| InChIKey | NARWMMNWSODKAV-HNNXBMFYSA-N |
The XLogP value of 4.2 indicates that (S)-2-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide. Following Lipinski's Rule of Five, (S)-2-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-2-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide is 1212140-92-5.
The molecular formula of (S)-2-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide is C24H31NO5.
The molecular weight of (S)-2-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide is 413.2202 g/mol.
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