Home Carboxys [1,1'-Biphenyl]-2-carboxylic acid, 4'-[[2-butyl-6-[[(cyclohexylamino)carbonyl]amino]-1H-benzimidazol-1-yl]methyl]-

[1,1'-Biphenyl]-2-carboxylic acid, 4'-[[2-butyl-6-[[(cyclohexylamino)carbonyl]amino]-1H-benzimidazol-1-yl]methyl]-

CAS No.:
133085-33-3
Catalog Number:
AG00148T
Molecular Formula:
C32H36N4O3
Molecular Weight:
524.6532
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$107
- +
5mg
99%
1 week
United States
$194
- +
10mg
99%
1 week
United States
$265
- +
25mg
≥98%
1 week
United States
$619
- +
Product Description
Catalog Number:
AG00148T
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 4'-[[2-butyl-6-[[(cyclohexylamino)carbonyl]amino]-1H-benzimidazol-1-yl]methyl]-
CAS Number:
133085-33-3
Molecular Formula:
C32H36N4O3
Molecular Weight:
524.6532
MDL Number:
MFCD29924788
IUPAC Name:
2-[4-[[2-butyl-6-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid
InChI:
InChI=1S/C32H36N4O3/c1-2-3-13-30-35-28-19-18-25(34-32(39)33-24-9-5-4-6-10-24)20-29(28)36(30)21-22-14-16-23(17-15-22)26-11-7-8-12-27(26)31(37)38/h7-8,11-12,14-20,24H,2-6,9-10,13,21H2,1H3,(H,37,38)(H2,33,34,39)
InChI Key:
OLQFKFSAJNUOPT-UHFFFAOYSA-N
SMILES:
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2)NC(=O)NC1CCCCC1
Properties
Complexity:
794  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
524.279g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
524.665g/mol
Monoisotopic Mass:
524.279g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7  
Literature
Title Journal
Nonpeptide angiotensin II receptor antagonists: the next generation in antihypertensive therapy. Journal of medicinal chemistry 19960202
Properties