5-O-(butanoyloxymethyl) 3-O-methyl (4S)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate


Chemical Name: 5-O-(butanoyloxymethyl) 3-O-methyl (4S)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS Number: 167221-71-8
Product Number: AG001WQ1(AGN-PC-03W74T)
Synonyms:
MDL No:
Molecular Formula: C21H23Cl2NO6
Molecular Weight: 456.3164

Identification/Properties


Computed Properties
Molecular Weight:
456.316g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
10
Exact Mass:
455.09g/mol
Monoisotopic Mass:
455.09g/mol
Topological Polar Surface Area:
90.9A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
748
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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