TL;DR: 2-(2-((8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid (CAS 1214836-27-7) is a chemical compound with molecular formula C26H23ClN2O7 and molecular weight 510.1194 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]propanoylamino]-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)propanamido)-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]propanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid, N-{2-[(8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]propanoyl}-5-hydroxytryptophan
| Molecular Formula | C26H23ClN2O7 |
| Molecular Weight | 510.1194 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 510.1194 Da |
| Heavy Atoms | 36 |
| Complexity | 926.0 |
| SMILES | CC(C(=O)NC(CC1=CNC2=C1C=C(C=C2)O)C(=O)O)OC3=C(C=C4C5=C(CCC5)C(=O)OC4=C3)Cl |
| InChIKey | NACMXIVJYCAUIP-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 2-(2-((8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)propanamido)-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)propanamido)-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)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(2-((8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is 1214836-27-7.
The molecular formula of 2-(2-((8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is C26H23ClN2O7.
The molecular weight of 2-(2-((8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is 510.1194 g/mol.
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