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(R) -JNJ-40418677

CAT: 0013-GTR19269017-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269017-01Size:50 mg
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Description
(R) -JNJ-40418677 is the R enantiomer of JNJ-40418677.
CAS Number
1146594-85-5
Field of Research
Neuroscience, Protein Biochemistry, Stem Cell & Developmental Biology
Smiles
[C@H] (CC (C) C) (C (O) =O) C1=CC (=CC (=C1) C2=CC=C (C (F) (F) F) C=C2) C3=CC=C (C (F) (F) F) C=C3
Molecular Formula
C26H22F6O2
Molecular Weight
480.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(R)-2-(4,4''-bis-trifluoromethyl-[1,1';3',1'']terphenyl-5'-yl)-4-methyl-pentanoic acid
CAS Number1146594-85-5
PubChem CID58003529
IUPAC Name(2R)-2-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid
Molecular FormulaC26H22F6O2
Molecular Weight480.4
XLogP8.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity615
SMILES
CC(C)C[C@H](C1=CC(=CC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)C(=O)O
InChI
InChI=1S/C26H22F6O2/c1-15(2)11-23(24(33)34)20-13-18(16-3-7-21(8-4-16)25(27,28)29)12-19(14-20)17-5-9-22(10-6-17)26(30,31)32/h3-10,12-15,23H,11H2,1-2H3,(H,33,34)/t23-/m1/s1
InChIKey
RQOWDDLKGBMJFX-HSZRJFAPSA-N
Chemical Structure
2D Structure
2D structure of (R)-2-(4,4''-bis-trifluoromethyl-[1,1';3',1'']terphenyl-5'-yl)-4-methyl-pentanoic acid
CAS: 1146594-85-5
CID: 58003529
Formula: C26H22F6O2
MW: 480.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.4
XLogP38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass480.15239891
Monoisotopic Mass480.15239891
Topological Polar Surface Area37.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity615
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BA8421-5JNJ-40418677
HY-100604A-01(R) -JNJ-40418677
HY-100604AR(R) -JNJ-40418677 (Standard)
MBS131356JNJ-63533054 (JNJ63533054; JNJ 63533054)
BA6861-10JNJ-42253432
A4361-50JNJ-1661010
BA6753-5.1JNJ-61432059
BA6849-10JNJ-55308942
C4122-10JNJ-42165279
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