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N-(3-Chloro-4-fluorophenyl)-6-(3-chloropropoxy)-7-methoxyquinazolin-4-amine - 97%, high purity , CAS No.912556-91-3

COA

Grade & Purity:

≥97%

Cas Number: 912556-91-3
Molecular Weight: 396.24
PubChem CID: 50742265

In stock

Item Number

N195785

Grouped product items
SKU	Size	Availability	Price	Qty
N195785-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$33.90
N195785-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$111.90

Discover N-(3-Chloro-4-fluorophenyl)-6-(3-chloropropoxy)-7-methoxyquinazolin-4-amine by Aladdin Scientific in 97% for only $33.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	912556-91-3 \| N-(3-Chloro-4-fluorophenyl)-6-(3-chloropropoxy)-7-methoxyquinazolin-4-amine \| C18H16Cl2FN3O2 \| SCHEMBL14964773 \| DTXSID10678855 \| LYHIGZLXZKJTPS-UHFFFAOYSA-N \| MFCD26383919 \| 4-[(3-Chloro-4-fluorophenyl)amino]-6-(3-chloropropoxy)-7-methoxyquinazoline \| 6-(3
Specifications & Purity	≥97%
Shipped In	Normal

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	Aniline and substituted anilines Anisoles Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Aryl fluorides Aryl chlorides Imidolactams Heteroaromatic compounds Secondary amines Azacyclic compounds Alkyl chlorides Organofluorides Hydrocarbon derivatives Organochlorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazolinamine - Anisole - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Ether - Secondary amine - Organohalogen compound - Organic oxygen compound - Amine - Alkyl halide - Alkyl chloride - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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

IUPAC Name	N-(3-chloro-4-fluorophenyl)-6-(3-chloropropoxy)-7-methoxyquinazolin-4-amine
INCHI	InChI=1S/C18H16Cl2FN3O2/c1-25-16-9-15-12(8-17(16)26-6-2-5-19)18(23-10-22-15)24-11-3-4-14(21)13(20)7-11/h3-4,7-10H,2,5-6H2,1H3,(H,22,23,24)
InChIKey	LYHIGZLXZKJTPS-UHFFFAOYSA-N
Smiles	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCCl
Isomeric SMILES	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCCl
Molecular Weight	396.24
Reaxy-Rn	11007630
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11007630&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	396.200 g/mol
XLogP3	5.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	395.06 Da
Monoisotopic Mass	395.06 Da
Topological Polar Surface Area	56.300 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	437.000
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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