CS-0100352
4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-7-ethoxy-6-[(1-methyl-2-pyrrolidinylidene)amino]-3-quinolinecarbonitrile
Manufacturer: ChemScene
CAS Number: 1144516-21-1
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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
SAFETY INFORMATION
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: 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
Purity: 98%
MDL No: MFCD00672380
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₀N₂O₃
Molecular Weight: 182.18
Synonyms: None
SMILES: OC([C@@H](N)CC1=CC=C(O)C=N1)=O
Tpsa: 96.44
Logp: -0.2584
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD00672380
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₀N₂O₃
Molecular Weight:
182.18
Synonyms:
None
SMILES:
OC([C@@H](N)CC1=CC=C(O)C=N1)=O
Tpsa:
96.44
Logp:
-0.2584
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₂₃BrClN₅O₃
Molecular Weight: 592.87
Synonyms: None
SMILES: O=C(NC1=C(OCC)C=C2N=CC(C#N)=C(NC3=CC=C(OCC4=NC=CC=C4)C(Cl)=C3)C2=C1)/C=C/CBr
Tpsa: 109.16
Logp: 6.76578
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₂₃BrClN₅O₃
Molecular Weight:
592.87
Synonyms:
None
SMILES:
O=C(NC1=C(OCC)C=C2N=CC(C#N)=C(NC3=CC=C(OCC4=NC=CC=C4)C(Cl)=C3)C2=C1)/C=C/CBr
Tpsa:
109.16
Logp:
6.76578
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
10