TL;DR: 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid (CAS 111106-28-6) 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-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid
Also Known As: 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid, Pentanoic acid, 4-((3,4-dichlorobenzoyl)amino)-5-((3-methoxypropyl)(3-methylbutyl)amino)-5-oxo-, (+-)-, 4-[(3,4-dichlorobenzoyl)amino]-4-(3-methoxypropyl-(3-methylbutyl)carba moyl)butanoic acid, Pentanoic acid,4-[(3,4-dichlorobenzoyl)amino]-5-[(3-methoxypropyl)(3-methylbutyl)amino]-5-oxo-, 4-[(3,4-dichlorobenzoyl)amino]-4-(3-methoxypropyl-(3-methylbutyl)carbamoyl)butanoic Acid
| Molecular Formula | C21H30Cl2N2O5 |
| Molecular Weight | 460.15317 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 460.15317 Da |
| Heavy Atoms | 30 |
| Complexity | 562.0 |
| SMILES | CC(C)CCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl |
| InChIKey | GVNDEBPOTTUDBX-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-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-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid. Following Lipinski's Rule of Five, 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-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-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid is 111106-28-6.
The molecular formula of 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid is C21H30Cl2N2O5.
The molecular weight of 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid is 460.15317 g/mol.
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