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4-[3-Chloro-4-(3-fluorobenzyloxy)phenylamino]-6-iodoquinazoline - ≥98%, high purity , CAS No.231278-20-9

COA

Grade & Purity:

≥98%

Cas Number: 231278-20-9
Molecular Weight: 505.72
EC Number: 607-200-2
MDL number: MFCD09998827
PubChem CID: 10174519
PubChem SID: 488196566

In stock

Item Number

N134368

Grouped product items
SKU	Size	Availability	Price
N134368-1g	1g	10	$36.90
N134368-5g	5g	1	$158.90
N134368-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$713.90

View related series

Hydroxy PEG (472) PROTAC linker (720) Quinazolines (57) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	MFCD09998827 \| n-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-iodoquinazolin-4-amine \| N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-4-quinazolinamine \| GS-3803 \| NSC-96707 \| C21H14ClFIN3O \| N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodanyl-
Specifications & Purity	≥98%
Storage Temp	Protected from light
Shipped In	Normal
Product Description	4-[3-Chloro-4-(3-fluorobenzyloxy)phenylamino]-6-iodoquinazoline is used as an organic chemical synthesis intermediate.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines
      - Level5 Quinazolines
        Level6 Quinazolinamines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Quinazolines
Direct Parent	Quinazolinamines
Alternative Parents	Phenoxy compounds Phenol ethers Aniline and substituted anilines Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Aryl iodides Heteroaromatic compounds Azacyclic compounds Secondary amines Hydrocarbon derivatives Organochlorides Organofluorides Organoiodides Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazolinamine - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Secondary amine - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488196566
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488196566
IUPAC Name	N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinazolin-4-amine
INCHI	InChI=1S/C21H14ClFIN3O/c22-18-10-16(5-7-20(18)28-11-13-2-1-3-14(23)8-13)27-21-17-9-15(24)4-6-19(17)25-12-26-21/h1-10,12H,11H2,(H,25,26,27)
InChIKey	UHFPFDMMKYQMLC-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)I)Cl
Isomeric SMILES	C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)I)Cl
Alternate CAS	231278-20-9
Molecular Weight	505.72
Reaxy-Rn	9086261
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9086261&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
D2323560	Certificate of Analysis	Feb 06, 2025	N134368
I2124454	Certificate of Analysis	Jul 10, 2023	N134368
I2124453	Certificate of Analysis	Jul 10, 2023	N134368
F1701073	Certificate of Analysis	Jan 18, 2023	N134368

Chemical and Physical Properties

Solubility	Soluble in Methanol (warm)
Sensitivity	Light and moisture sensitive
Melt Point(°C)	225 °C
Molecular Weight	505.700 g/mol
XLogP3	6.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	504.985 Da
Monoisotopic Mass	504.985 Da
Topological Polar Surface Area	47.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	504.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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