CS-0100350
Way 188954
Manufacturer: ChemScene
CAS Number: 1144516-15-3
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₈H₂₄ClN₅O₄
Molecular Weight
529.97
Synonyms
4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-7-ethoxy-6-(2-hydroxy-5-oxopyrrolidin-1-yl)quinoline-3-carbonitrile
SMILES
N#CC1=C(NC2=CC=C(OCC3=NC=CC=C3)C(Cl)=C2)C4=CC(N5C(O)CCC5=O)=C(OCC)C=C4N=C1
Tpsa
120.6
Logp
5.32138
H Acceptors
8
H Donors
2
Rotatable Bonds
8
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₂₄ClN₅O₄
Molecular Weight: 529.97
Synonyms: 4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-7-ethoxy-6-(2-hydroxy-5-oxopyrrolidin-1-yl)quinoline-3-carbonitrile
SMILES: N#CC1=C(NC2=CC=C(OCC3=NC=CC=C3)C(Cl)=C2)C4=CC(N5C(O)CCC5=O)=C(OCC)C=C4N=C1
Tpsa: 120.6
Logp: 5.32138
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₂₄ClN₅O₄
Molecular Weight:
529.97
Synonyms:
4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-7-ethoxy-6-(2-hydroxy-5-oxopyrrolidin-1-yl)quinoline-3-carbonitrile
SMILES:
N#CC1=C(NC2=CC=C(OCC3=NC=CC=C3)C(Cl)=C2)C4=CC(N5C(O)CCC5=O)=C(OCC)C=C4N=C1
Tpsa:
120.6
Logp:
5.32138
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
8
Purity: 97%
MDL No: MFCD12025321
Storage: -20°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₆BrFN₂
Molecular Weight: 205.03
Synonyms: (4-bromo-3-fluorophenyl)hydrazine(WX191932)
SMILES: NNC1=CC=C(Br)C(F)=C1
Tpsa: 38.05
Logp: 1.8738
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD12025321
Storage:
-20°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₆BrFN₂
Molecular Weight:
205.03
Synonyms:
(4-bromo-3-fluorophenyl)hydrazine(WX191932)
SMILES:
NNC1=CC=C(Br)C(F)=C1
Tpsa:
38.05
Logp:
1.8738
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₂₇ClN₆O₂
Molecular Weight: 527.02
Synonyms: None
SMILES: N#CC1=C(NC2=CC=C(OCC3=NC=CC=C3)C(Cl)=C2)C4=CC(/N=C5N(C)CCC\5)=C(OCC)C=C4N=C1
Tpsa: 95.66
Logp: 6.63178
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 8
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₂₇ClN₆O₂
Molecular Weight:
527.02
Synonyms:
None
SMILES:
N#CC1=C(NC2=CC=C(OCC3=NC=CC=C3)C(Cl)=C2)C4=CC(/N=C5N(C)CCC\5)=C(OCC)C=C4N=C1
Tpsa:
95.66
Logp:
6.63178
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
8
Purity: 96%
MDL No: None
Storage: -20°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₂₀ClN₅O₃
Molecular Weight: 473.91
Synonyms: Neratinib Impurity 1
SMILES: O=CNC1=C(OCC)C=C2N=CC(C#N)=C(NC3=CC=C(OCC4=NC=CC=C4)C(Cl)=C3)C2=C1
Tpsa: 109.16
Logp: 5.44448
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 9
Purity:
96%
MDL No:
None
Storage:
-20°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₀ClN₅O₃
Molecular Weight:
473.91
Synonyms:
Neratinib Impurity 1
SMILES:
O=CNC1=C(OCC)C=C2N=CC(C#N)=C(NC3=CC=C(OCC4=NC=CC=C4)C(Cl)=C3)C2=C1
Tpsa:
109.16
Logp:
5.44448
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
9