Home Carboxys 1(2H)-Quinolinecarboxylic acid, 4-[[[3,5-bis(trifluoromethyl)phenyl]methyl](methoxycarbonyl)amino]-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, ethyl ester, (2R,4S)-

1(2H)-Quinolinecarboxylic acid, 4-[[[3,5-bis(trifluoromethyl)phenyl]methyl](methoxycarbonyl)amino]-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, ethyl ester, (2R,4S)-

CAS No.:
262352-17-0
Catalog Number:
AG002SDU
Molecular Formula:
C26H25F9N2O4
Molecular Weight:
600.4733
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%(HPLC)
In Stock USA
United States
$80
- +
5mg
98%(HPLC)
In Stock USA
United States
$143
- +
10mg
98%(HPLC)
In Stock USA
United States
$193
- +
50mg
98%(HPLC)
In Stock USA
United States
$761
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100mg
98%(HPLC)
In Stock USA
United States
$1401
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Product Description
Catalog Number:
AG002SDU
Chemical Name:
1(2H)-Quinolinecarboxylic acid, 4-[[[3,5-bis(trifluoromethyl)phenyl]methyl](methoxycarbonyl)amino]-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, ethyl ester, (2R,4S)-
CAS Number:
262352-17-0
Molecular Formula:
C26H25F9N2O4
Molecular Weight:
600.4733
MDL Number:
MFCD09260777
IUPAC Name:
ethyl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
InChI:
InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1
InChI Key:
CMSGWTNRGKRWGS-NQIIRXRSSA-N
SMILES:
CCOC(=O)N1[C@H](CC)C[C@@H](c2c1ccc(c2)C(F)(F)F)N(C(=O)OC)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
UNII:
4N4457MV2U
Properties
Complexity:
889  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
600.167g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
600.482g/mol
Monoisotopic Mass:
600.167g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7  
Literature
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