Products for Research Use Only
RegisterLogin

Tofacitinib metabolite-1

CAT: 1568-C04384-1mgSize: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1568-C04384-1mgSize:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1640971-51-2
Additionnal Information
Tofacitinib metabolite-1 is a metabolite of Tofacitinib, a JAK inhibitor. Tofacitinib metabolite-1 can be used in the pharmacokinetics and metabolism studies of tofacitinib.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

Tofacitinib metabolite-1
CAS Number1640971-51-2
PubChem CID67965296
IUPAC Name3-[(3R,4R)-4-methyl-3-[methyl-(6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
Molecular FormulaC16H20N6O2
Molecular Weight328.37
XLogP0.2
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity558
SMILES
C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2CC(=O)N3)C(=O)CC#N
InChI
InChI=1S/C16H20N6O2/c1-10-4-6-22(14(24)3-5-17)8-12(10)21(2)16-11-7-13(23)20-15(11)18-9-19-16/h9-10,12H,3-4,6-8H2,1-2H3,(H,18,19,20,23)/t10-,12+/m1/s1
InChIKey
FIQMDRYZOUHVEZ-PWSUYJOCSA-N
Chemical Structure
2D Structure
2D structure of Tofacitinib metabolite-1
CAS: 1640971-51-2
CID: 67965296
Formula: C16H20N6O2
MW: 328.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.37
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass328.16477390
Monoisotopic Mass328.16477390
Topological Polar Surface Area102 Ų
Heavy Atom Count24
Formal Charge0
Complexity558
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

Related Products

CatalogName
C08859-100mgTofacitinib
C08859-5mgTofacitinib
C08859-01Tofacitinib
C08859-10mgTofacitinib
C08859-1gTofacitinib
C03673-100mg(3R,4S) -Tofacitinib
C17069-01Tofacitinib (CP-690550)
C03673-1g(3R,4S) -Tofacitinib
C03673-25mg(3R,4S) -Tofacitinib
C17069-50mgTofacitinib (CP-690550)

Alternative Products

CatalogName
MBS5798486-01Tofacitinib metabolite-1
CS-O-52475Racemic Tofacitinib metabolite - 1
AR-T02501-01Tofacitinib Impurity 1
HY-145829Tofacitinib Prodrug-1
CS-O-33660Tofacitinib Diastereomer-1 and 2
RM-T060327-01Tofacitinib Related Impurity 1
CS-O-45592Tofacitinib Nitroso Impurity 1
AR-T02436-01Tofacitinib related compound 1
CS-RS-00136Tofacitinib Related Substance 1
TRC-N344130-50MG(3R,4R)-1-Nitroso Tofacitinib

Popular Products