2-[4-[2-[4-cyclohexylbutyl(cyclohexylcarbamoyl)amino]ethyl]phenyl]sulfanyl-2-methylpropanoic acid


Chemical Name: 2-[4-[2-[4-cyclohexylbutyl(cyclohexylcarbamoyl)amino]ethyl]phenyl]sulfanyl-2-methylpropanoic acid
CAS Number: 265129-71-3
Product Number: AG002TIU(AGN-PC-0KTMFM)
Synonyms:
MDL No: MFCD06798379
Molecular Formula: C29H46N2O3S
Molecular Weight: 502.7521

Identification/Properties


Properties
MP:
156 - 157°C
Storage:
-10 ℃;Inert atmosphere;
Form:
Solid
Computed Properties
Molecular Weight:
502.758g/mol
XLogP3:
8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
12
Exact Mass:
502.323g/mol
Monoisotopic Mass:
502.323g/mol
Topological Polar Surface Area:
94.9A^2
Heavy Atom Count:
35
Formal Charge:
0
Complexity:
636
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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