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Bottle of LGD-4033 Liquid

LGD-4033

In stock

$64.99$69.99

Concentration
10 mg per mL
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This product is prepared for LABORATORY RESEARCH USE ONLY and may not be used for other purposes.

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Properties

Molecular Formula C14H12F6N2O
Molecular Weight 338.25
Monoisotopic Mass 338.08538198
Polar Area 47.3
Complexity 468
XLogP 3.7
Heavy Atom Count 23
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 2
Physical Appearance Clear Liquid
Stability Room Temperature
PubChem LCSS LGD-4033 Laboratory Chemical Safety Summary

Identifiers

CID 44137686
CAS 1165910-22-4
InChI InChI=1S/C14H12F6N2O/c15-13(16, 17)10-6-9(4-3-8(10)7-21)22-5-1-2-11(22)12(23)14(18, 19)20/h3-4, 6, 11-12, 23H, 1-2, 5H2/t11-, 12-/m1/s1
InChIKey OPSIVAKKLQRWKC-VXGBXAGGSA-N
Isomeric SMILES C1C[C@@H](N(C1)C2=CC(=C(C=C2)C#N)C(F)(F)F)[C@H](C(F)(F)F)O
Canonical SMILES C1CC(N(C1)C2=CC(=C(C=C2)C#N)C(F)(F)F)C(C(F)(F)F)O
IUPAC Name 4-[(2R)-2-[(1R)-2, 2, 2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile

2D Structure

Generated by Extreme Peptide with Open Babel, version 2.3.1, http://openbabel.org (accessed May 20, 2024)

LGD-4033 2D molecular structure vector generated with oBabel

3D Structure

Interactive 3D representation of LGD-4033 (CID 44137686)

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