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4-methyl Erlotinib

CAT: 0607-C4727-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-C4727-1Size:1 mg
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Description
EGFR inhibitor
CAS Number
1346601-52-2
Product Name Alternative
N-(3-ethynyl-4-methylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine
Field of Research
Tyrosine Kinase EGFR
Purity
≥ 95.00%
Form
A crystalline solid
Solubility
≤0.25mg/ml in ethanol;25mg/ml in DMSO;50mg/ml in dimethyl formamide
Smiles
COCCOC(C(OCCOC)=C1)=CC2=C1C(NC3=CC(C#C)=C(C)C=C3)=NC=N2
Molecular Formula
C23H25N3O4
Molecular Weight
407.5
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

4-Methyl Erlotinib Hydrochloride
CAS Number1346601-52-2
PubChem CID71750333
IUPAC NameN-(3-ethynyl-4-methylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
Molecular FormulaC23H25N3O4
Molecular Weight407.5
XLogP3.7
Topological Polar Surface Area74.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity554
SMILES
CC1=C(C=C(C=C1)NC2=NC=NC3=CC(=C(C=C32)OCCOC)OCCOC)C#C
InChI
InChI=1S/C23H25N3O4/c1-5-17-12-18(7-6-16(17)2)26-23-19-13-21(29-10-8-27-3)22(30-11-9-28-4)14-20(19)24-15-25-23/h1,6-7,12-15H,8-11H2,2-4H3,(H,24,25,26)
InChIKey
PENVNSXCNXIPIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methyl Erlotinib Hydrochloride
CAS: 1346601-52-2
CID: 71750333
Formula: C23H25N3O4
MW: 407.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass407.18450629
Monoisotopic Mass407.18450629
Topological Polar Surface Area74.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity554
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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Alternative Products

CatalogName
HY-129510-014-Methyl erlotinib
TRC-M304630-5MG4-Methyl Erlotinib Hydrochloride
HY-129510R4-Methyl erlotinib (Standard)
AR-E01717-01Erlotinib Impurity 4
TRC-H475770-25MG4'-Hydroxy Erlotinib
CS-EO-03532Erlotinib 4-Hydroxy Metabolite HCl salt
D3220-88EDesmethyl Erlotinib Acetate (6- (2-Acetoxy-ethoxy) -4- (3-ethynyl-phenylamino) -7- (2-methoxy-ethoxy) -quinazoline)
MBS6105370-01Desmethyl Erlotinib Acetate (6-(2-Acetoxy-ethoxy)-4-(3-ethynyl-phenylamino)-7-(2-methoxy-ethoxy)-quinazoline)
E3452-75AErlotinib-d6, Hydrochloride Salt (N- (3-Ethynylphenyl) -6,7-bis (2-trideuteromethoxyethoxy) -4-quinazolinamine, Hydrochloride Salt)
MBS6034691-01Erlotinib-d6, Hydrochloride Salt (N-(3-Ethynylphenyl)-6,7-bis(2-trideuteromethoxyethoxy)-4-quinazolinamine,Hydrochloride Salt)

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