TL;DR: (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid (CAS 1173688-40-8) is a chemical compound with molecular formula C28H35NO6 and molecular weight 481.24643 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[3-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
Also Known As: (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid, 4-({[3-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}methyl)cyclohexanecarboxylic acid, 4-[[3-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
| Molecular Formula | C28H35NO6 |
| Molecular Weight | 481.24643 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.24643 Da |
| Heavy Atoms | 35 |
| Complexity | 865.0 |
| SMILES | CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=CO3)C(C)(C)C)C)CCC(=O)NCC4CCC(CC4)C(=O)O |
| InChIKey | ALCRLVQDCOUCDC-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic 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 (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic 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 (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid is 1173688-40-8.
The molecular formula of (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid is C28H35NO6.
The molecular weight of (1s,4s)-4-((3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)methyl)cyclohexanecarboxylic acid is 481.24643 g/mol.
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