Products for Research Use Only

S-Ruxolitinib

CAT: 0931-T3066Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T3066Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1160597-27-2
Target
JAK
Related Pathways
Chromatin/Epigenetic, Tyrosine Kinase/Adaptors, Angiogenesis, Stem Cells, JAK/STAT signaling
Bioactivity
S-Ruxolitinib can be used in related research in the field of life sciences. Its product number is T3066 and CAS number is 1160597-27-2.
Smiles
N#CCC(C1CCCC1)n2cc(cn2)c4ncnc3nccc34
Molecular Formula
C17H18N6
Molecular Weight
306.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile

3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile is a pyrrolopyrimidine.

CAS Number1160597-27-2
PubChem CID17754772
IUPAC Name3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
Molecular FormulaC17H18N6
Molecular Weight306.4
XLogP2.1
Topological Polar Surface Area83.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity453
SMILES
C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3
InChI
InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)
InChIKey
HFNKQEVNSGCOJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile
CAS: 1160597-27-2
CID: 17754772
Formula: C17H18N6
MW: 306.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight306.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass306.15929460
Monoisotopic Mass306.15929460
Topological Polar Surface Area83.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity453
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