TL;DR: AB00864515-06 (CAS 1213988-75-0) is a chemical compound with molecular formula C25H20ClNO6 and molecular weight 465.0979 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid
Also Known As: AB00864515-06, 3-(4-chlorophenyl)-2-(2-((4-methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy)acetamido)propanoic acid, 4-chloro-N-{[(4-methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}phenylalanine, 3-(4-chlorophenyl)-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid
| Molecular Formula | C25H20ClNO6 |
| Molecular Weight | 465.0979 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.0979 Da |
| Heavy Atoms | 33 |
| Complexity | 724.0 |
| SMILES | CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC(=O)NC(CC4=CC=C(C=C4)Cl)C(=O)O |
| InChIKey | CSYGMMBAZUTWOT-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that AB00864515-06 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00864515-06. Following Lipinski's Rule of Five, AB00864515-06 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 AB00864515-06 is 1213988-75-0.
The molecular formula of AB00864515-06 is C25H20ClNO6.
The molecular weight of AB00864515-06 is 465.0979 g/mol.
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