TL;DR: 2-(2-((8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid (CAS 1219416-47-3) is a chemical compound with molecular formula C25H21ClN2O7 and molecular weight 496.10373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-[(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Also Known As: 2-(2-((8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid, 2-[[2-[(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid, N-{[(8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetyl}-5-hydroxytryptophan
| Molecular Formula | C25H21ClN2O7 |
| Molecular Weight | 496.10373 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.10373 Da |
| Heavy Atoms | 35 |
| Complexity | 895.0 |
| SMILES | C1CC2=C(C1)C(=O)OC3=CC(=C(C=C23)Cl)OCC(=O)NC(CC4=CNC5=C4C=C(C=C5)O)C(=O)O |
| InChIKey | JVOGWCJAKHSWQI-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 2-(2-((8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-((8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid. Following Lipinski's Rule of Five, 2-(2-((8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(2-((8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is 1219416-47-3.
The molecular formula of 2-(2-((8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is C25H21ClN2O7.
The molecular weight of 2-(2-((8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is 496.10373 g/mol.
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