Products for Research Use Only
RegisterLogin

T0080

CAT: 0013-GTR19250579-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19250579-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
T0080
CAS Number
2785323-68-2
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research, Signal Transduction
Smiles
O=C1C2=NNC (C=3C=C (C=CC3O) C) =C2C (C4=CC=C (C=C4) C (F) (F) F) N1C5CCOCC5
Molecular Formula
C24H22F3N3O3
Molecular Weight
457.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(2-Hydroxy-5-methylphenyl)-5-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CAS Number2785323-68-2
PubChem CID170943291
IUPAC Name3-(2-hydroxy-5-methylphenyl)-5-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Molecular FormulaC24H22F3N3O3
Molecular Weight457.4
XLogP4.2
Topological Polar Surface Area78.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity709
SMILES
CC1=CC(=C(C=C1)O)C2=NNC3=C2C(N(C3=O)C4CCOCC4)C5=CC=C(C=C5)C(F)(F)F
InChI
InChI=1S/C24H22F3N3O3/c1-13-2-7-18(31)17(12-13)20-19-21(29-28-20)23(32)30(16-8-10-33-11-9-16)22(19)14-3-5-15(6-4-14)24(25,26)27/h2-7,12,16,22,31H,8-11H2,1H3,(H,28,29)
InChIKey
NLNJUYHGBAJDBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Hydroxy-5-methylphenyl)-5-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CAS: 2785323-68-2
CID: 170943291
Formula: C24H22F3N3O3
MW: 457.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.4
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass457.16132606
Monoisotopic Mass457.16132606
Topological Polar Surface Area78.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity709
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T207682-01T0080

Popular Products