TL;DR: AB00864168-06 (CAS 1214834-81-7) is a chemical compound with molecular formula C25H24N2O7 and molecular weight 464.15836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Also Known As: AB00864168-06, 2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid, N-{[(4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}-5-hydroxytryptophan, 2-[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
| Molecular Formula | C25H24N2O7 |
| Molecular Weight | 464.15836 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.15836 Da |
| Heavy Atoms | 34 |
| Complexity | 815.0 |
| SMILES | CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O |
| InChIKey | XAMMZKWYUMKNPJ-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that AB00864168-06 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 AB00864168-06. Following Lipinski's Rule of Five, AB00864168-06 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 AB00864168-06 is 1214834-81-7.
The molecular formula of AB00864168-06 is C25H24N2O7.
The molecular weight of AB00864168-06 is 464.15836 g/mol.
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