TL;DR: AB00864625-06 (CAS 1214087-28-1) is a chemical compound with molecular formula C28H30N2O7 and molecular weight 506.2053 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Also Known As: AB00864625-06, 2-(2-((4-butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)propanamido)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid, N-{2-[(4-butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-5-hydroxytryptophan, 2-[2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
| Molecular Formula | C28H30N2O7 |
| Molecular Weight | 506.2053 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 506.2053 Da |
| Heavy Atoms | 37 |
| Complexity | 877.0 |
| SMILES | CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O |
| InChIKey | QPOOMJOQGJEDNY-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that AB00864625-06 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 AB00864625-06. Following Lipinski's Rule of Five, AB00864625-06 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of AB00864625-06 is 1214087-28-1.
The molecular formula of AB00864625-06 is C28H30N2O7.
The molecular weight of AB00864625-06 is 506.2053 g/mol.
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