Home Other Building Blocks K-Ras G12C-IN-3

K-Ras G12C-IN-3

CAS No.:
1629268-19-4
Catalog Number:
AG00ABO8
Molecular Formula:
C21H19Cl3N2O3
Molecular Weight:
453.7462
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$307
- +
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$890
- +
50mg
99%
1 week
United States
$2557
- +
100mg
99%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00ABO8
Chemical Name:
K-Ras G12C-IN-3
CAS Number:
1629268-19-4
Molecular Formula:
C21H19Cl3N2O3
Molecular Weight:
453.7462
MDL Number:
MFCD28386555
IUPAC Name:
1-[4-[4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzoyl]piperazin-1-yl]prop-2-en-1-one
InChI:
InChI=1S/C21H19Cl3N2O3/c1-3-20(27)25-6-8-26(9-7-25)21(28)16-11-15(18(24)12-19(16)29-2)14-10-13(22)4-5-17(14)23/h3-5,10-12H,1,6-9H2,2H3
InChI Key:
RPBHAPLCWWQJAK-UHFFFAOYSA-N
SMILES:
C=CC(=O)N1CCN(CC1)C(=O)c1cc(c(cc1OC)Cl)c1cc(Cl)ccc1Cl
Properties
Complexity:
612  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.046g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.744g/mol
Monoisotopic Mass:
452.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties