TL;DR: (+-)-4-((3,4-Dichlorobenzoyl)amino)-5-((2-ethoxyethyl)pentylamino)-5-oxopentanoic acid (CAS 111106-11-7) is a chemical compound with molecular formula C21H30Cl2N2O5 and molecular weight 460.15317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(3,4-dichlorobenzoyl)amino]-5-[2-ethoxyethyl(pentyl)amino]-5-oxopentanoic acid
Also Known As: (+-)-4-((3,4-Dichlorobenzoyl)amino)-5-((2-ethoxyethyl)pentylamino)-5-oxopentanoic acid, Pentanoic acid, 4-((3,4-dichlorobenzoyl)amino)-5-((2-ethoxyethyl)pentylamino)-5-oxo-, (+-)-, 4-[(3,4-dichlorobenzoyl)amino]-5-[2-ethoxyethyl(pentyl)amino]-5-oxopentanoic acid, N~2~-[(3,4-Dichlorophenyl)(hydroxy)methylidene]-N-(2-ethoxyethyl)-N-pentyl-alpha-glutamine
| Molecular Formula | C21H30Cl2N2O5 |
| Molecular Weight | 460.15317 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 460.15317 Da |
| Heavy Atoms | 30 |
| Complexity | 549.0 |
| SMILES | CCCCCN(CCOCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl |
| InChIKey | ZRTWAJXAOFVPNN-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that (+-)-4-((3,4-Dichlorobenzoyl)amino)-5-((2-ethoxyethyl)pentylamino)-5-oxopentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (+-)-4-((3,4-Dichlorobenzoyl)amino)-5-((2-ethoxyethyl)pentylamino)-5-oxopentanoic acid. Following Lipinski's Rule of Five, (+-)-4-((3,4-Dichlorobenzoyl)amino)-5-((2-ethoxyethyl)pentylamino)-5-oxopentanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (+-)-4-((3,4-Dichlorobenzoyl)amino)-5-((2-ethoxyethyl)pentylamino)-5-oxopentanoic acid is 111106-11-7.
The molecular formula of (+-)-4-((3,4-Dichlorobenzoyl)amino)-5-((2-ethoxyethyl)pentylamino)-5-oxopentanoic acid is C21H30Cl2N2O5.
The molecular weight of (+-)-4-((3,4-Dichlorobenzoyl)amino)-5-((2-ethoxyethyl)pentylamino)-5-oxopentanoic acid is 460.15317 g/mol.
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