CS-1002555
Ponatinib Impurity 2
Manufacturer: ChemScene
CAS Number: 2097674-16-1
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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
C₄₆H₄₆F₆N₆O₂
Molecular Weight
828.89
Synonyms
None
SMILES
O=C(NC1=CC=C(C(=C1)C(F)(F)F)CN2CCN(C)CC2)C3=CC=C(C(C#CC#CC4=CC(=CC=C4C)C(=O)NC5=CC=C(C(=C5)C(F)(F)F)CN6CCN(C)CC6)=C3)C
Tpsa
71.16
Logp
7.74364
H Acceptors
6
H Donors
2
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₆H₄₆F₆N₆O₂
Molecular Weight: 828.89
Synonyms: None
SMILES: O=C(NC1=CC=C(C(=C1)C(F)(F)F)CN2CCN(C)CC2)C3=CC=C(C(C#CC#CC4=CC(=CC=C4C)C(=O)NC5=CC=C(C(=C5)C(F)(F)F)CN6CCN(C)CC6)=C3)C
Tpsa: 71.16
Logp: 7.74364
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:
C₄₆H₄₆F₆N₆O₂
Molecular Weight:
828.89
Synonyms:
None
SMILES:
O=C(NC1=CC=C(C(=C1)C(F)(F)F)CN2CCN(C)CC2)C3=CC=C(C(C#CC#CC4=CC(=CC=C4C)C(=O)NC5=CC=C(C(=C5)C(F)(F)F)CN6CCN(C)CC6)=C3)C
Tpsa:
71.16
Logp:
7.74364
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: C₂₅H₂₉ClF₃N₅O₉
Molecular Weight: 635.97
Synonyms: None
SMILES: ClC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1NCC(CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C)O)C3=C(F)C=C(F)C(N)=N3
Tpsa: 234.86
Logp: -1.1227
H Acceptors: 13
H Donors: 9
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₉ClF₃N₅O₉
Molecular Weight:
635.97
Synonyms:
None
SMILES:
ClC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1NCC(CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C)O)C3=C(F)C=C(F)C(N)=N3
Tpsa:
234.86
Logp:
-1.1227
H Acceptors:
13
H Donors:
9
Rotatable Bonds:
13
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₀N₄
Molecular Weight: 138.17
Synonyms: None
SMILES: [C@H]1(CCNC1)N2C=NN=C2
Tpsa: 42.74
Logp: -0.1875
H Acceptors: 4
H Donors: 1
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:
C₆H₁₀N₄
Molecular Weight:
138.17
Synonyms:
None
SMILES:
[C@H]1(CCNC1)N2C=NN=C2
Tpsa:
42.74
Logp:
-0.1875
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₂ClF₃N₄O₄
Molecular Weight: 440.76
Synonyms: None
SMILES: O=C(O)C1=CN(C2=NC(N)=C(F)C=C2F)C3=C(Cl)C(NCC4OC4)=C(F)C=C3C1=O
Tpsa: 122.77
Logp: 2.5475
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₂ClF₃N₄O₄
Molecular Weight:
440.76
Synonyms:
None
SMILES:
O=C(O)C1=CN(C2=NC(N)=C(F)C=C2F)C3=C(Cl)C(NCC4OC4)=C(F)C=C3C1=O
Tpsa:
122.77
Logp:
2.5475
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
5