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(S)-Diethyl 2-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-ylamino)-2-oxoethylphosphonate - ≥98%, high purity , CAS No.618061-76-0

COA

Grade & Purity:

≥98%

Cas Number: 618061-76-0
Molecular Weight: 552.9
EC Number: 808-286-6
PubChem CID: 15606393

In stock

Item Number

D728493

Grouped product items
SKU	Size	Availability	Price
D728493-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$563.90
D728493-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$892.90
D728493-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,231.90

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	N-arylamides Aniline and substituted anilines Phenol ethers Chlorobenzenes Dialkyl alkylphosphonates Fluorobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Aryl fluorides Imidolactams Aryl chlorides Phosphonic acid esters Heteroaromatic compounds Oxolanes Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Azacyclic compounds Dialkyl ethers Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organophosphorus compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazolinamine - Phenol ether - N-arylamide - Aniline or substituted anilines - Dialkyl alkylphosphonate - Aminopyrimidine - Chlorobenzene - Alkyl aryl ether - Fluorobenzene - Phosphonic acid diester - Halobenzene - Aryl chloride - Aryl fluoride - Phosphonic acid ester - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidolactam - Oxolane - Organophosphonic acid derivative - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Secondary amine - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Organic oxide - Organophosphorus compound - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organochloride - 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-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-2-diethoxyphosphorylacetamide
INCHI	InChI=1S/C24H27ClFN4O6P/c1-3-34-37(32,35-4-2)13-23(31)30-21-10-17-20(11-22(21)36-16-7-8-33-12-16)27-14-28-24(17)29-15-5-6-19(26)18(25)9-15/h5-6,9-11,14,16H,3-4,7-8,12-13H2,1-2H3,(H,30,31)(H,27,28,29)/t16-/m0/s1
InChIKey	FNGRCLBEXKFSST-INIZCTEOSA-N
Smiles	CCOP(=O)(CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4)OCC
Isomeric SMILES	CCOP(=O)(CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4)OCC
Alternate CAS	618061-76-0
PubChem CID	15606393
Molecular Weight	552.9

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	552.900 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	11
Exact Mass	552.134 Da
Monoisotopic Mass	552.134 Da
Topological Polar Surface Area	121.000 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	792.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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