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Afatinib Impurity AFT-8

CAT: 0572-TRC-A355335-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A355335-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2323570-72-3
Synonyms
N-[4-((3-Chloro-4-fluorophenyl)amino)-7-(((S)-tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)-3-hydroxybutenamide;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CN(C)CC(O)CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]4CCOC4
Molecular Formula
C24 H27 Cl F N5 O4
Molecular Weight
503.954
InChI
InChI=1S/C24H27ClFN5O4/c1-31(2)11-15(32)8-23(33)30-21-9-17-20(10-22(21)35-16-5-6-34-12-16)27-13-28-24(17)29-14-3-4-19(26)18(25)7-14/h3-4,7,9-10,13,15-16,32H,5-6,8,11-12H2,1-2H3,(H,30,33)(H,27,28,29)/t15?,16-/m0/s1
Additionnal Information
IUPAC name: N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)-3-hydroxybutanamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Afatinib Impurity AFT-8
CAS Number2323570-72-3
PubChem CID163197455
IUPAC NameN-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)-3-hydroxybutanamide
Molecular FormulaC24H27ClFN5O4
Molecular Weight504.0
XLogP3.2
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity694
SMILES
CN(C)CC(CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4)O
InChI
InChI=1S/C24H27ClFN5O4/c1-31(2)11-15(32)8-23(33)30-21-9-17-20(10-22(21)35-16-5-6-34-12-16)27-13-28-24(17)29-14-3-4-19(26)18(25)7-14/h3-4,7,9-10,13,15-16,32H,5-6,8,11-12H2,1-2H3,(H,30,33)(H,27,28,29)/t15?,16-/m0/s1
InChIKey
IQINQKMQCQYKAD-LYKKTTPLSA-N
Chemical Structure
2D Structure
2D structure of Afatinib Impurity AFT-8
CAS: 2323570-72-3
CID: 163197455
Formula: C24H27ClFN5O4
MW: 504.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.0
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass503.1735602
Monoisotopic Mass503.1735602
Topological Polar Surface Area109 Ų
Heavy Atom Count35
Formal Charge0
Complexity694
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-A01497-01Afatinib Impurity 8
OR1007518-01(2R,4R) -1-[ (2S) -5-[[Imino (nitroamino) methyl]amino]-2- [[ (3-methyl-8-quinolinyl) sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic Acid (Afatinib Impurity)
AR-A01479-01Afatinib Impurity A
AR-A01485-01Afatinib Impurity D (Z-Afatinib)
RM-A062088-01Afatinib Impurity 88 (Afatinib Dimer)
AR-A01500-01Afatinib Impurity L (Afatinib N-Oxide)
HY-Z4740-01Afatinib impurity 90
HY-133780-01Afatinib impurity 11
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