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Fexaramine

CAT: 0013-GTR19173455-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173455-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Fexaramine
CAS Number
574013-66-4
Product Name Alternative
Autophagy, NR1H4, inhibit, Inhibitor, Fexaramine, FXR
Field of Research
Cell Biology, Metabolism Research
Purity
98.87% (May vary between batches)
Solubility
DMSO:50 mg/mL (100.68 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.03 mM)
Smiles
COC (=O) \C=C\c1cccc (c1) N (Cc1ccc (cc1) -c1ccc (cc1) N (C) C) C (=O) C1CCCCC1
Molecular Formula
C32H36N2O3
Molecular Weight
496.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Fexaramine

Fexaramine is a member of biphenyls.

CAS Number574013-66-4
PubChem CID5326713
IUPAC Namemethyl (E)-3-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]prop-2-enoate
Molecular FormulaC32H36N2O3
Molecular Weight496.6
XLogP6.9
Topological Polar Surface Area49.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity743
SMILES
CN(C)C1=CC=C(C=C1)C2=CC=C(C=C2)CN(C3=CC=CC(=C3)/C=C/C(=O)OC)C(=O)C4CCCCC4
InChI
InChI=1S/C32H36N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-22,28H,4-6,9-10,23H2,1-3H3/b21-14+
InChIKey
VLQTUNDJHLEFEQ-KGENOOAVSA-N
Chemical Structure
2D Structure
2D structure of Fexaramine
CAS: 574013-66-4
CID: 5326713
Formula: C32H36N2O3
MW: 496.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.6
XLogP36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass496.27259301
Monoisotopic Mass496.27259301
Topological Polar Surface Area49.9 Ų
Heavy Atom Count37
Formal Charge0
Complexity743
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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