CS-0567011
(E)-4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-6-(4-(dimethylamino)but-2-enamido)-7-ethoxyquinoline-3-carboxamide Dacomitinib Impurity
Manufacturer: ChemScene
CAS Number: 1376619-98-5
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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
C₃₀H₃₁ClN₆O₄
Molecular Weight
575.06
Synonyms
Neratinib Impurity XA
SMILES
CCOC(C(NC(/C=C/CN(C)C)=O)=C1)=CC2=C1C(NC3=CC(Cl)=C(C=C3)OCC4=CC=CC=N4)=C(C(N)=O)C=N2
Tpsa
131.7
Logp
5.1597
H Acceptors
8
H Donors
3
Rotatable Bonds
12
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: C₃₀H₃₁ClN₆O₄
Molecular Weight: 575.06
Synonyms: Neratinib Impurity XA
SMILES: CCOC(C(NC(/C=C/CN(C)C)=O)=C1)=CC2=C1C(NC3=CC(Cl)=C(C=C3)OCC4=CC=CC=N4)=C(C(N)=O)C=N2
Tpsa: 131.7
Logp: 5.1597
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₃₁ClN₆O₄
Molecular Weight:
575.06
Synonyms:
Neratinib Impurity XA
SMILES:
CCOC(C(NC(/C=C/CN(C)C)=O)=C1)=CC2=C1C(NC3=CC(Cl)=C(C=C3)OCC4=CC=CC=N4)=C(C(N)=O)C=N2
Tpsa:
131.7
Logp:
5.1597
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₈H₄₄N₄OS₂
Molecular Weight: 636.91
Synonyms: Vortioxetine Impurity 52
SMILES: O=C(CN1CCN(CC1)C2=C(SC3=CC=C(C)C=C3C)C=CC=C2)N4CCN(CC4)C5=C(SC6=CC=C(C)C=C6C)C=CC=C5
Tpsa: 30.03
Logp: 7.69348
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₄₄N₄OS₂
Molecular Weight:
636.91
Synonyms:
Vortioxetine Impurity 52
SMILES:
O=C(CN1CCN(CC1)C2=C(SC3=CC=C(C)C=C3C)C=CC=C2)N4CCN(CC4)C5=C(SC6=CC=C(C)C=C6C)C=CC=C5
Tpsa:
30.03
Logp:
7.69348
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: -20°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₂N₂OS
Molecular Weight: 326.46
Synonyms: 4-(2-((2,4-dimethylphenyl)thio)phenyl)piperazine-1-carbaldehyde
SMILES: O=CN1CCN(CC1)C2=C(SC3=CC=C(C)C=C3C)C=CC=C2
Tpsa: 23.55
Logp: 3.73304
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
-20°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₂N₂OS
Molecular Weight:
326.46
Synonyms:
4-(2-((2,4-dimethylphenyl)thio)phenyl)piperazine-1-carbaldehyde
SMILES:
O=CN1CCN(CC1)C2=C(SC3=CC=C(C)C=C3C)C=CC=C2
Tpsa:
23.55
Logp:
3.73304
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4
Purity: 97%
MDL No: MFCD13250178
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆F₃NO₂
Molecular Weight: 205.13
Synonyms: 3-methyl-5-trifluoromethylnitrobenzene
SMILES: FC(C1=CC([N+]([O-])=O)=CC(C)=C1)(F)F
Tpsa: 43.14
Logp: 2.92202
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD13250178
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆F₃NO₂
Molecular Weight:
205.13
Synonyms:
3-methyl-5-trifluoromethylnitrobenzene
SMILES:
FC(C1=CC([N+]([O-])=O)=CC(C)=C1)(F)F
Tpsa:
43.14
Logp:
2.92202
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1