Home Other Building Blocks 2-[(4-Acetylphenyl)azo]-2-(3,4-dihydro-3,3-diMethyl-1(2H)- isoquinolinylidene)acetaMide

2-[(4-Acetylphenyl)azo]-2-(3,4-dihydro-3,3-diMethyl-1(2H)- isoquinolinylidene)acetaMide

CAS No.:
331001-62-8
Catalog Number:
AG00C6LC
Molecular Formula:
C21H24N4O2
Molecular Weight:
364.4409
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$157
- +
10mg
99%
1 week
United States
$190
- +
25mg
99%
1 week
United States
$357
- +
50mg
99%
1 week
United States
$490
- +
Product Description
Catalog Number:
AG00C6LC
Chemical Name:
2-[(4-Acetylphenyl)azo]-2-(3,4-dihydro-3,3-diMethyl-1(2H)- isoquinolinylidene)acetaMide
CAS Number:
331001-62-8
Molecular Formula:
C21H24N4O2
Molecular Weight:
364.4409
MDL Number:
MFCD00354369
IUPAC Name:
(2E)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide
InChI:
InChI=1S/C21H22N4O2/c1-13(26)14-8-10-16(11-9-14)24-25-19(20(22)27)18-17-7-5-4-6-15(17)12-21(2,3)23-18/h4-11,24H,12H2,1-3H3,(H2,22,27)/b25-19+
InChI Key:
ALJIEVIJBAJISI-NCELDCMTSA-N
SMILES:
NC(=O)C(C1NC(C)(C)Cc2c1cccc2)N=Nc1ccc(cc1)C(=O)C
Properties
Complexity:
645  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
362.174g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
362.433g/mol
Monoisotopic Mass:
362.174g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties