3-(2-Chloro-4,4-dimethyl-3-oxovalerylamino)-4-chlorobenzoic acid 1-(dodecyloxycarbonyl)pentyl ester

Base Information

• Chemical Name: 3-(2-Chloro-4,4-dimethyl-3-oxovalerylamino)-4-chlorobenzoic acid 1-(dodecyloxycarbonyl)pentyl ester
• CAS No.: 105487-54-5
• Molecular Formula: C32H49Cl2NO6
• Molecular Weight: 614.64
• DSSTox Substance ID: DTXSID20702019
• Nikkaji Number: J107.354K
• Mol file: 105487-54-5.mol

Synonyms:105487-54-5;3-(2-Chloro-4,4-dimethyl-3-oxovalerylamino)-4-chlorobenzoic acid 1-(dodecyloxycarbonyl)pentyl ester;DTXSID20702019;TWKLTPPLRAVOHV-UHFFFAOYSA-N;1-(Dodecyloxy)-1-oxohexan-2-yl 4-chloro-3-[(2-chloro-4,4-dimethyl-3-oxopentanoyl)amino]benzoate

Chemical Property of 3-(2-Chloro-4,4-dimethyl-3-oxovalerylamino)-4-chlorobenzoic acid 1-(dodecyloxycarbonyl)pentyl ester

Chemical Property:

• PSA: 102.26000
• LogP: 9.33030
• XLogP3: 11.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 23
• Exact Mass: 613.2936937
• Heavy Atom Count: 41
• Complexity: 800

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCOC(=O)C(CCCC)OC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)Cl