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GNE-0723

CAT: 1596-AR-G01584-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-G01584-03Size:50 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1883518-31-7
Synonyms
2- (7- ((5-chloro-3- (trifluoromethyl) -1H-pyrazol-1-yl) methyl) -5-oxo-2- (trifluoromethyl) -5H-thiazolo[3,2-a]pyrimidin-3-yl) cyclopropanecarbonitrile; GNE-0723
Molecular Formula
C16H8ClF6N5OS
Molecular Weight
467.77
API Name
Gne-0723

Chemical Information

cis-(1R,2R)-2-[7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile
CAS Number1883518-31-7
PubChem CID127046129
IUPAC Namecis-(1R,2R)-2-[7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile
Molecular FormulaC16H8ClF6N5OS
Molecular Weight467.8
XLogP2.8
Topological Polar Surface Area99.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity935
SMILES
C1[C@H]([C@@H]1C2=C(SC3=NC(=CC(=O)N23)CN4C(=CC(=N4)C(F)(F)F)Cl)C(F)(F)F)C#N
InChI
InChI=1S/C16H8ClF6N5OS/c17-10-3-9(15(18,19)20)26-27(10)5-7-2-11(29)28-12(8-1-6(8)4-24)13(16(21,22)23)30-14(28)25-7/h2-3,6,8H,1,5H2/t6-,8+/m0/s1
InChIKey
FTIBNGABJNFFAI-POYBYMJQSA-N
Chemical Structure
2D Structure
2D structure of cis-(1R,2R)-2-[7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile
CAS: 1883518-31-7
CID: 127046129
Formula: C16H8ClF6N5OS
MW: 467.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.8
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass467.0042277
Monoisotopic Mass467.0042277
Topological Polar Surface Area99.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity935
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
IAD51831-01GNE-0723
MBS5754913GNE 0723
GTR19258944-01(Iso) -GNE-0723
A12757-50GNE 0723 50mg
A12757-25GNE 0723 25mg
A12757-100GNE 0723 100mg
A12757-10GNE 0723 10mg
A12757-5GNE 0723 5mg
A12757-1GNE 0723 1mg
BA2099-5SNX-0723

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