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CAY10640

CAT: 0013-GTR19189964-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189964-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CAY10640
CAS Number
1208549-68-1
Product Name Alternative
SEH, sEH inhibitor-1, CAY10640, CAY-10640, CAY 10640, Epoxide Hydrolase, EpoxideHydrolase
Field of Research
Metabolism Research
Purity
99.17% (May vary between batches)
Solubility
Ethanol:2 mg/mL (5.39 mM) ; DMF:4.5 mg/mL (12.12 mM) ; DMSO:4.5 mg/mL (12.12 mM)
Smiles
C (=O) (C1CC1) N2CCC (NC (NC3=CC=C (OC (F) (F) F) C=C3) =O) CC2
Molecular Formula
C17H20F3N3O3
Molecular Weight
371.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(1-(Cyclopropanecarbonyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CAS Number1208549-68-1
PubChem CID45888834
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
Molecular FormulaC17H20F3N3O3
Molecular Weight371.35
XLogP2.6
Topological Polar Surface Area70.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity509
SMILES
C1CC1C(=O)N2CCC(CC2)NC(=O)NC3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C17H20F3N3O3/c18-17(19,20)26-14-5-3-12(4-6-14)21-16(25)22-13-7-9-23(10-8-13)15(24)11-1-2-11/h3-6,11,13H,1-2,7-10H2,(H2,21,22,25)
InChIKey
CHOHWMGAQRIMFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(1-(Cyclopropanecarbonyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CAS: 1208549-68-1
CID: 45888834
Formula: C17H20F3N3O3
MW: 371.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.35
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass371.14567599
Monoisotopic Mass371.14567599
Topological Polar Surface Area70.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity509
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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