CS-0255386
(E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-8-yl)-4-(piperidin-1-yl)but-2-enamide Dacomitinib Impurity
Manufacturer: ChemScene
CAS Number: None
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Purity
97%
MDL No
None
Storage
4°C, protect from light
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₄H₂₅ClFN₅O₂
Molecular Weight
469.94
Synonyms
None
SMILES
COC1=CC=C2C(NC3=CC=C(C(Cl)=C3)F)=NC=NC2=C1NC(/C=C/CN4CCCCC4)=O
Tpsa
79.38
Logp
5.1551
H Acceptors
6
H Donors
2
Rotatable Bonds
7
Other Options
...
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: 97%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₅ClFN₅O₂
Molecular Weight: 469.94
Synonyms: None
SMILES: COC1=CC=C2C(NC3=CC=C(C(Cl)=C3)F)=NC=NC2=C1NC(/C=C/CN4CCCCC4)=O
Tpsa: 79.38
Logp: 5.1551
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 7
Purity:
97%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₅ClFN₅O₂
Molecular Weight:
469.94
Synonyms:
None
SMILES:
COC1=CC=C2C(NC3=CC=C(C(Cl)=C3)F)=NC=NC2=C1NC(/C=C/CN4CCCCC4)=O
Tpsa:
79.38
Logp:
5.1551
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
7
Purity: 97%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₆ClFN₄O₂
Molecular Weight: 386.81
Synonyms: None
SMILES: ClC1=CC(NC2=NC=NC3=CC(OC)=C(C=C32)NC(/C=C/C)=O)=CC=C1F
Tpsa: 76.14
Logp: 4.6891
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 5
Purity:
97%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₆ClFN₄O₂
Molecular Weight:
386.81
Synonyms:
None
SMILES:
ClC1=CC(NC2=NC=NC3=CC(OC)=C(C=C32)NC(/C=C/C)=O)=CC=C1F
Tpsa:
76.14
Logp:
4.6891
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₆ClFN₄O₃
Molecular Weight: 402.81
Synonyms: Des-(4-(1-piperidinyl)-2-Butenamide) Dacomitinib-5-hydroxypyrrolidin-2-one
SMILES: O=C1N(C(CC1)O)C2=CC3=C(NC4=CC=C(C(Cl)=C4)F)N=CN=C3C=C2OC
Tpsa: 87.58
Logp: 3.6197
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₆ClFN₄O₃
Molecular Weight:
402.81
Synonyms:
Des-(4-(1-piperidinyl)-2-Butenamide) Dacomitinib-5-hydroxypyrrolidin-2-one
SMILES:
O=C1N(C(CC1)O)C2=CC3=C(NC4=CC=C(C(Cl)=C4)F)N=CN=C3C=C2OC
Tpsa:
87.58
Logp:
3.6197
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₂₇ClFN₅O₂
Molecular Weight: 483.97
Synonyms: Dacomitinib Impurity C
SMILES: O=C(NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCC)/C=C/CN4CCCCC4
Tpsa: 79.38
Logp: 5.5452
H Acceptors: 6
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:
C₂₅H₂₇ClFN₅O₂
Molecular Weight:
483.97
Synonyms:
Dacomitinib Impurity C
SMILES:
O=C(NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCC)/C=C/CN4CCCCC4
Tpsa:
79.38
Logp:
5.5452
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
8