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BLU-263

CAT: 0127-BUP03493-06Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03493-06Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2505078-08-8
Purity
=98%
Smiles
C[C@](N)(c1ccc(F)cc1)c1cnc(nc1)N1CCN(CC1)c1ncnn2cc(cc12)-c1cnn(CCO)c1

Chemical Information

Elenestinib

Elenestinib is a selective KIT inhibitor.

CAS Number2505078-08-8
PubChem CID155190269
IUPAC Name2-[4-[4-[4-[5-[(1S)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]ethanol
Molecular FormulaC27H29FN10O
Molecular Weight528.6
XLogP1.1
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity789
SMILES
C[C@](C1=CC=C(C=C1)F)(C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NN5C4=CC(=C5)C6=CN(N=C6)CCO)N
InChI
InChI=1S/C27H29FN10O/c1-27(29,21-2-4-23(28)5-3-21)22-14-30-26(31-15-22)36-8-6-35(7-9-36)25-24-12-19(17-38(24)34-18-32-25)20-13-33-37(16-20)10-11-39/h2-5,12-18,39H,6-11,29H2,1H3/t27-/m0/s1
InChIKey
IPMARPMXSFFZFG-MHZLTWQESA-N
Chemical Structure
2D Structure
2D structure of Elenestinib
CAS: 2505078-08-8
CID: 155190269
Formula: C27H29FN10O
MW: 528.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.6
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass528.25098375
Monoisotopic Mass528.25098375
Topological Polar Surface Area127 Ų
Heavy Atom Count39
Formal Charge0
Complexity789
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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