CS-0255389
(E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-ethoxyquinazolin-6-yl)-4-(piperidin-1-yl)but-2-enamide Dacomitinib Impurity
Manufacturer: ChemScene
CAS Number: 869199-69-9
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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
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
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: 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
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₃FN₄O
Molecular Weight: 284.29
Synonyms: Dacomitinib Impurity DFAJ
SMILES: NC1=CC2=C(NC3=CC=C(F)C=C3)N=CN=C2C=C1OC
Tpsa: 73.06
Logp: 3.1033
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₃FN₄O
Molecular Weight:
284.29
Synonyms:
Dacomitinib Impurity DFAJ
SMILES:
NC1=CC2=C(NC3=CC=C(F)C=C3)N=CN=C2C=C1OC
Tpsa:
73.06
Logp:
3.1033
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₆FN₅O₂
Molecular Weight: 435.49
Synonyms: None
SMILES: FC1=CC=C(NC2=NC=NC3=CC(OC)=C(C=C32)NC(/C=C/CN4CCCCC4)=O)C=C1
Tpsa: 79.38
Logp: 4.5017
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:
C₂₄H₂₆FN₅O₂
Molecular Weight:
435.49
Synonyms:
None
SMILES:
FC1=CC=C(NC2=NC=NC3=CC(OC)=C(C=C32)NC(/C=C/CN4CCCCC4)=O)C=C1
Tpsa:
79.38
Logp:
4.5017
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
7
Purity: 96%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₀F₂N₄O₃
Molecular Weight: 332.26
Synonyms: Dacomitinib Impurity SFXJ
SMILES: O=[N+](C1=CC2=C(NC3=CC=C(F)C(F)=C3)N=CN=C2C=C1OC)[O-]
Tpsa: 90.18
Logp: 3.5684
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 4
Purity:
96%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₀F₂N₄O₃
Molecular Weight:
332.26
Synonyms:
Dacomitinib Impurity SFXJ
SMILES:
O=[N+](C1=CC2=C(NC3=CC=C(F)C(F)=C3)N=CN=C2C=C1OC)[O-]
Tpsa:
90.18
Logp:
3.5684
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
4