Products for Research Use Only

EMI1

CAT: 0013-GTR19243944-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243944-01Size:500 mg
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Description
EMI1 is an EGFR ex19del/T790M/C797S and EGFR L858R/T790M/C797S inhibitor. EMI1 can be used for the research of mutant EGFR-associated, drug-resistant non-small-cell lung cancer (NSCLC) .
CAS Number
35773-42-3
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 25 mg/mL (74.77 mM; Ultrasonic (<60°C)
Smiles
CCN (CC) C1=CC2=C (C=C1) C=C (C1=NC3=C (O1) C=CC=C3) C (=O) O2
Molecular Formula
C20H18N2O3
Molecular Weight
334.37
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)-
CAS Number35773-42-3
PubChem CID118870
IUPAC Name3-(1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one
Molecular FormulaC20H18N2O3
Molecular Weight334.4
XLogP4.3
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity531
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C20H18N2O3/c1-3-22(4-2)14-10-9-13-11-15(20(23)25-18(13)12-14)19-21-16-7-5-6-8-17(16)24-19/h5-12H,3-4H2,1-2H3
InChIKey
UJOQSHCJYVRZKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)-
CAS: 35773-42-3
CID: 118870
Formula: C20H18N2O3
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass334.13174244
Monoisotopic Mass334.13174244
Topological Polar Surface Area55.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity531
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