AST-1306

CAT: 0607-A8367-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-A8367-50Size:50 mg

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Description

EGFR/HER2 inhibitor

CAS Number

897383-62-9

Product Name Alternative

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-enamide

Sequence

AST1306; AST 1306

Field of Research

JAK STAT Signaling EGFR Tyrosine Kinase EGFR

Purity

0.98

Form

A solid

Solubility

≥22.45 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH

Smiles

C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl

Molecular Formula

C24H18ClFN4O2

Molecular Weight

448.88

Shipping Conditions

Blue ice

Storage Conditions

Store at -20°C.

Chemical Information

Allitinib

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-6-quinazolinyl]-2-propenamide is a member of quinazolines.

CAS Number	897383-62-9
PubChem CID	24739943
IUPAC Name	N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-enamide
Molecular Formula	C24H18ClFN4O2
Molecular Weight	448.9
XLogP	5.4
Topological Polar Surface Area	76.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	32
Formal Charge	0
Complexity	641

SMILES

C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl

InChI

InChI=1S/C24H18ClFN4O2/c1-2-23(31)29-17-6-8-21-19(11-17)24(28-14-27-21)30-18-7-9-22(20(25)12-18)32-13-15-4-3-5-16(26)10-15/h2-12,14H,1,13H2,(H,29,31)(H,27,28,30)

InChIKey

MVZGYPSXNDCANY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 897383-62-9

CID: 24739943

Formula: C24H18ClFN4O2

MW: 448.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	448.9
XLogP3	5.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	448.1102317
Monoisotopic Mass	448.1102317
Topological Polar Surface Area	76.1 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	641
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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A3194-50	AST 487
C8438-250	AST 7062601
A3194-5.1	AST 487
K2171-100	Aspartate Aminotransferase (AST or SGOT) Activity Colorimetric Assay Kit
BA1833-5.1	AT-130

Alternative Products

Catalog	Name
MBS384244-01	AST-1306
sc-364413	AST 1306
A11155-50	AST-1306 50mg
A11155-5	AST-1306 5mg
A11155-1	AST-1306 1mg
A11155-100	AST-1306 100mg
A11155-25	AST-1306 25mg
A11155-10	AST-1306 10mg
A11155-10mM-D	AST-1306 10mM * 1mL in DMSO
A10062-100	Allitinib tosylate (AST-1306 TsOH, AST-6) 100mg

AST-1306

Chemical Information

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