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Gsk1324726a

CAS No.:
1300031-52-0
Catalog Number:
AG000TW8
Molecular Formula:
C25H23ClN2O3
Molecular Weight:
434.9147
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$103
- +
5mg
98%
1 week
United States
$216
- +
10mg
98%
1 week
United States
$335
- +
25mg
≥98%
1 week
United States
$744
- +
50mg
98%
1 week
United States
$848
- +
100mg
98%
1 week
United States
$1348
- +
Product Description
Catalog Number:
AG000TW8
Chemical Name:
Gsk1324726a
CAS Number:
1300031-52-0
Molecular Formula:
C25H23ClN2O3
Molecular Weight:
434.9147
MDL Number:
MFCD28144683
IUPAC Name:
4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoic acid
InChI:
InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
InChI Key:
FAWSUKOIROHXAP-NPMXOYFQSA-N
SMILES:
Clc1ccc(cc1)N[C@@H]1C[C@H](C)N(c2c1cc(cc2)c1ccc(cc1)C(=O)O)C(=O)C
Properties
Complexity:
643  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
434.14g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
434.92g/mol
Monoisotopic Mass:
434.14g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Properties