Products for Research Use Only

CHMFL-EGFR-202 2mg

CAT: 0628-A12524-2Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A12524-2Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2089381-40-6

Chemical Information

Chmfl-egfr-202
CAS Number2089381-40-6
PubChem CID127264586
IUPAC Name1-[(3R)-3-[4-amino-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
Molecular FormulaC25H24ClN7O2
Molecular Weight490.0
XLogP3.1
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity745
SMILES
C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC(=C(C=C4)OCC5=CC=CC=N5)Cl)N
InChI
InChI=1S/C25H24ClN7O2/c1-2-21(34)32-11-5-7-18(13-32)33-25-22(24(27)29-15-30-25)23(31-33)16-8-9-20(19(26)12-16)35-14-17-6-3-4-10-28-17/h2-4,6,8-10,12,15,18H,1,5,7,11,13-14H2,(H2,27,29,30)/t18-/m1/s1
InChIKey
RVCKMZIQUFKZFD-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of Chmfl-egfr-202
CAS: 2089381-40-6
CID: 127264586
Formula: C25H24ClN7O2
MW: 490.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight490.0
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass489.1680007
Monoisotopic Mass489.1680007
Topological Polar Surface Area112 Ų
Heavy Atom Count35
Formal Charge0
Complexity745
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

Popular Products