TL;DR: (2R)-2-[(2S)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid (CAS 154566-05-9) is a chemical compound with molecular formula C18H24Cl2O6 and molecular weight 406.095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[(2S)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid
Also Known As: SB 204990, J1.006.390F, (2R)-2-[(2S)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid, 2-[8-(2,4-dichlorophenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid, (R)-2-Hydroxy-2-[(S)-2-hydroxy-8-(2,4-dichlorophenyl)octyl]butanedioic acid
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H24Cl2O6 |
| Molecular Weight | 406.095 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 406.095 Da |
| Heavy Atoms | 26 |
| Complexity | 461.0 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)CCCCCC[C@@H](C[C@@](CC(=O)O)(C(=O)O)O)O |
| InChIKey | NPZOIISFQXTCQN-KBXCAEBGSA-N |
The XLogP value of 3.8 indicates that (2R)-2-[(2S)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R)-2-[(2S)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid. Following Lipinski's Rule of Five, (2R)-2-[(2S)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid has 4 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 (2R)-2-[(2S)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid is 154566-05-9.
The molecular formula of (2R)-2-[(2S)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid is C18H24Cl2O6.
The molecular weight of (2R)-2-[(2S)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid is 406.095 g/mol.
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