Products for Research Use Only
RegisterLogin

Tigolaner

CAT: 1596-AR-T05191-02Size: 25 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-T05191-02Size:25 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1621436-41-6
Synonyms
2-chloro-N- (1-cyanocyclopropyl) -5- (2'-methyl-5'- (perfluoroethyl) -4'- (trifluoromethyl) -2'H-[1,3'-bipyrazol]-4-yl) benzamide
Molecular Formula
C21H13ClF8N6O
Molecular Weight
552.81
API Name
Tigolaner

Chemical Information

Tigolaner

Tigolaner is a small molecule drug. Tigolaner has a monoisotopic molecular weight of 552.07 Da.

CAS Number1621436-41-6
PubChem CID77847513
IUPAC Name2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
Molecular FormulaC21H13ClF8N6O
Molecular Weight552.8
XLogP4.7
Topological Polar Surface Area88.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity934
SMILES
CN1C(=C(C(=N1)C(C(F)(F)F)(F)F)C(F)(F)F)N2C=C(C=N2)C3=CC(=C(C=C3)Cl)C(=O)NC4(CC4)C#N
InChI
InChI=1S/C21H13ClF8N6O/c1-35-17(14(20(25,26)27)15(34-35)19(23,24)21(28,29)30)36-8-11(7-32-36)10-2-3-13(22)12(6-10)16(37)33-18(9-31)4-5-18/h2-3,6-8H,4-5H2,1H3,(H,33,37)
InChIKey
TVAJZOVLQZNNCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tigolaner
CAS: 1621436-41-6
CID: 77847513
Formula: C21H13ClF8N6O
MW: 552.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.8
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass552.0711620
Monoisotopic Mass552.0711620
Topological Polar Surface Area88.5 Ų
Heavy Atom Count37
Formal Charge0
Complexity934
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

Alternative Products

CatalogName
T28976-01Tigolaner
TRC-T621436-25MGTigolaner-d8
HY-109077S-01Tigolaner-d4

Popular Products