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EGFR/ErbB2 Inhibitor

CAT: 0607-C3285-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-C3285-1Size:1 mg
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Description
EGFR and c-ErbB2 inhibitor
CAS Number
179248-61-4
Product Name Alternative
6,7-dimethoxy-N-[4-(phenylmethoxy)phenyl]-4-quinazolinamine
Field of Research
Tyrosine Kinase EGFR
Purity
≥95.00%
Form
A crystalline solid
Solubility
≤1mg/ml in DMSO;10mg/ml in dimethyl formamide
Smiles
COC1=C(OC)C=C(C(NC2=CC=C(OCC3=CC=CC=C3)C=C2)=NC=N4)C4=C1
Molecular Formula
C23H21N3O3
Molecular Weight
387.4
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

EGFR/ErbB-2 inhibitor
CAS Number179248-61-4
PubChem CID9843206
IUPAC Name6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
Molecular FormulaC23H21N3O3
Molecular Weight387.4
XLogP4.8
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity480
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)OCC4=CC=CC=C4)OC
InChI
InChI=1S/C23H21N3O3/c1-27-21-12-19-20(13-22(21)28-2)24-15-25-23(19)26-17-8-10-18(11-9-17)29-14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,24,25,26)
InChIKey
DNOKYISWMVFYFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of EGFR/ErbB-2 inhibitor
CAS: 179248-61-4
CID: 9843206
Formula: C23H21N3O3
MW: 387.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.4
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass387.15829154
Monoisotopic Mass387.15829154
Topological Polar Surface Area65.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity480
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

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MBS5764823EGFR/ErbB2 Inhibitor
C01200ErbB2 inhibitor
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A13673-50EGFR-IN-12 (EGFR Inhibitor) 50mg
A13673-5EGFR-IN-12 (EGFR Inhibitor) 5mg
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