TL;DR: (+-)-4-((3,4-Dichlorobenzoyl)amino)-5-((3-ethoxypropyl)pentylamino)-5-oxopentanoic acid (CAS 111106-12-8) is a chemical compound with molecular formula C22H32Cl2N2O5 and molecular weight 474.16882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(3,4-dichlorobenzoyl)amino]-5-[3-ethoxypropyl(pentyl)amino]-5-oxopentanoic acid
Also Known As: (+-)-4-((3,4-Dichlorobenzoyl)amino)-5-((3-ethoxypropyl)pentylamino)-5-oxopentanoic acid, Pentanoic acid, 4-((3,4-dichlorobenzoyl)amino)-5-((3-ethoxypropyl)pentylamino)-5-oxo-, (+-)-, 4-[(3,4-dichlorobenzoyl)amino]-5-[3-ethoxypropyl(pentyl)amino]-5-oxopentanoic acid, N~2~-[(3,4-Dichlorophenyl)(hydroxy)methylidene]-N-(3-ethoxypropyl)-N-pentyl-alpha-glutamine
| Molecular Formula | C22H32Cl2N2O5 |
| Molecular Weight | 474.16882 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 474.16882 Da |
| Heavy Atoms | 31 |
| Complexity | 564.0 |
| SMILES | CCCCCN(CCCOCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl |
| InChIKey | OHVYCIRMTMPPFO-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that (+-)-4-((3,4-Dichlorobenzoyl)amino)-5-((3-ethoxypropyl)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-((3-ethoxypropyl)pentylamino)-5-oxopentanoic acid. Following Lipinski's Rule of Five, (+-)-4-((3,4-Dichlorobenzoyl)amino)-5-((3-ethoxypropyl)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-((3-ethoxypropyl)pentylamino)-5-oxopentanoic acid is 111106-12-8.
The molecular formula of (+-)-4-((3,4-Dichlorobenzoyl)amino)-5-((3-ethoxypropyl)pentylamino)-5-oxopentanoic acid is C22H32Cl2N2O5.
The molecular weight of (+-)-4-((3,4-Dichlorobenzoyl)amino)-5-((3-ethoxypropyl)pentylamino)-5-oxopentanoic acid is 474.16882 g/mol.
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