R-afatinib structure, CAS 945553-91-3

R-afatinib

CAS Number945553-91-3

SynonymsExact Mass 485.162994; LogP 3.59; Index of Refraction 1.668; InChIKey ULXXDDBFHOBEHA-QDLOVBKTSA-N; Synonyms

Molecular FormulaC24H25ClFN5O3

Molecular Weight485.938

Purity

Density1.4±0.1 g/cm3

Boiling Point676.9±55.0 °C at 760 mmHg

Melting Point

Flash Point

Appearance

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-3181757 Purity:
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Quality Control of [ 945553-91-3 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number945553-91-3
Catalog No.2A-3181757
Chinese Name(R,E)-N-(4-((3-氯-4-氟苯基)氨基)-7-((四氢呋喃-3-基)氧基)喹唑啉-6-基)-4-(二甲基氨基)丁-2-烯酰胺
SynonymsExact Mass 485.162994; LogP 3.59; Index of Refraction 1.668; InChIKey ULXXDDBFHOBEHA-QDLOVBKTSA-N; Synonyms
Molecular FormulaC24H25ClFN5O3
Molecular Weight485.938
Density1.4±0.1 g/cm3
Boiling Point676.9±55.0 °C at 760 mmHg
Water SolubilityInsuluble (7.3E-5 g/L) (25 ºC)
Storage Conditionroom temperature
PubChem ID15156357
SMILESCN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1
InChIInChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m1/s1
InChI KeyULXXDDBFHOBEHA-QDLOVBKTSA-N
Transport InfoProduct name: (R,E)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide
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