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Screening compounds

Allitinib

Also known as AST 1306, ALS 1306, N-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)acrylamide

CAS 897383-62-9Formula C24H18ClFN4O2Molar mass 448.89 g/mol
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Allitinib chemical structure, C24H18ClFN4O2, CAS 897383-62-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
897383-62-9
Formula
C24H18ClFN4O2
Molar mass
448.89 g/mol
HS code
293359
Category
Screening compounds

What is Allitinib?

Plain description, key identifiers and synonyms

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

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-enamide
CAS number
897383-62-9 CAS number cross-checked
Molecular formula
C24H18ClFN4O2
UNII
CX0M5RO7CY
MDL number
MFCD17169993
InChIKey
MVZGYPSXNDCANY-UHFFFAOYSA-N
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)
SMILES (canonical and isomeric)
C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl

Synonyms

  • AST 1306
  • ALS 1306
  • N-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)acrylamide
  • N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-enamide
  • n-(4-((3-chloro-4-((3-fluorophenyl)methoxy)phenyl)amino)-6-quinazolinyl)-2-propenamide
  • 2-Propenamide, N-(4-((3-chloro-4-((3-fluorophenyl)methoxy)phenyl)amino)-6-quinazolinyl)-
  • N-[4-[[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]amino]quinazolin-6-yl]acrylamide
  • N-(4-((3-chloro-4-((3-fluorophenyl)methoxy)phenyl)amino)quinazolin-6-yl)prop-2-enamide
  • N-(4-(3-Chloro-4-((3-fluorophenyl)methoxy)anilino)quinazolin-6-yl)prop-2-enamide
  • N-(4-{3-Chloro-4-[(3-fluorophenyl)methoxy]anilino}quinazolin-6-yl)prop-2-enamide
  • N-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-2-Propenamide
  • N-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]quinazolin-6-yl]prop-2-enamide
  • N-(4-(4-(3-Fluorobenzyloxy)-3-chlorophenylamino)quinazolin-6-yl) Acrylamide
  • N-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-yl)acrylamide
  • C24H18ClFN4O2
  • 897383-62-9 (free base)
  • n-(4-((3-chloro-4-((3-fluorophe
  • Sdccgsbi-0654468.p001
  • N-[4-[[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]amino]-6-quinazolinyl]acrylamide
  • N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-6-quinazolinyl]-2-propenamide

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
448.89 g/molcalc.
Exact mass
448.1102 Dacalc.
LogP (octanol/water)
5.87calc.
Topological polar surface area
76.14 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
7calc.
Heavy atoms
32calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.04calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(COc2ccc(Nc3ncnc4ccccc34)cc2)cc1

c1ccc(COc2ccc(Nc3ncnc4ccccc34)cc2)cc1

4 rings, 25 atoms, the N-(4-Phenylmethoxyphenyl)quinazolin-4-amine ring system.

27 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Allitinib suppliers

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Where suppliers are based

1 supplier in 1 country

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Allitinib price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • pharmaceutical

Pharmacology

Allitinib is an orally bioavailable and irreversible inhibitor of the receptor tyrosine kinases (RTKs) epidermal growth factor receptors 1 (EGFR, ErbB1) and 2 (ErbB2, HER2, HER-2), with potential antineoplastic activity. Upon oral administration, allitinib selectively and irreversibly binds to and inhibits the activity of both EGFR and HER2, which prevents signaling mediated by EGFR and HER2. This may inhibit tumor growth and angiogenesis in tumor cells overexpressing these RTKs. EGFR and HER2 are RTKs that belong to the EGFR superfamily, they play major roles in both tumor cell proliferation and tumor vascularization and are overexpressed in many cancer cell types.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Allitinib is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Allitinib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Allitinib, based on the data on this page

What is Allitinib?

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

What is the CAS number of Allitinib?

The CAS registry number of Allitinib is 897383-62-9.

What is the molecular formula and weight of Allitinib?

The molecular formula of Allitinib is C24H18ClFN4O2 and its molar mass is 448.89 g/mol.

What is Allitinib used for?

Known uses and roles of Allitinib include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent and pharmaceutical.

Is Allitinib hazardous?

No GHS hazard classification for Allitinib is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Allitinib?

Allitinib is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Allitinib?

CompoundList lists 1 supplier of Allitinib in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Allitinib?

Suppliers quote Allitinib on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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