CS-1002600
Nilotinib Impurity 28
Manufacturer: ChemScene
CAS Number: 2119583-25-2
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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
C₂₉H₂₄F₃N₇O
Molecular Weight
543.54
Synonyms
None
SMILES
O=C(NC=1C=C(C=C(C1)C(F)(F)F)N2C=C(N=C2C)C)C3=CC=C(C(=C3)NC=4N=CC=C(N4)C5=CN=CC=C5)C
Tpsa
97.62
Logp
6.66426
H Acceptors
7
H Donors
2
Rotatable Bonds
6
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: C₂₉H₂₄F₃N₇O
Molecular Weight: 543.54
Synonyms: None
SMILES: O=C(NC=1C=C(C=C(C1)C(F)(F)F)N2C=C(N=C2C)C)C3=CC=C(C(=C3)NC=4N=CC=C(N4)C5=CN=CC=C5)C
Tpsa: 97.62
Logp: 6.66426
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₂₄F₃N₇O
Molecular Weight:
543.54
Synonyms:
None
SMILES:
O=C(NC=1C=C(C=C(C1)C(F)(F)F)N2C=C(N=C2C)C)C3=CC=C(C(=C3)NC=4N=CC=C(N4)C5=CN=CC=C5)C
Tpsa:
97.62
Logp:
6.66426
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃F₂N₃O₂
Molecular Weight: 269.25
Synonyms: None
SMILES: [C@](CN1C=NN=C1)([C@@H](C)O)(O)C2=C(F)C=C(F)C=C2
Tpsa: 71.17
Logp: 0.8249
H Acceptors: 5
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:
C₁₂H₁₃F₂N₃O₂
Molecular Weight:
269.25
Synonyms:
None
SMILES:
[C@](CN1C=NN=C1)([C@@H](C)O)(O)C2=C(F)C=C(F)C=C2
Tpsa:
71.17
Logp:
0.8249
H Acceptors:
5
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: C₈H₁₁NO₃S
Molecular Weight: 201.24
Synonyms: None
SMILES: O=S(=O)(O)CC1=CC=C(C=C1)NC
Tpsa: 66.4
Logp: 1.1161
H Acceptors: 3
H Donors: 2
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:
C₈H₁₁NO₃S
Molecular Weight:
201.24
Synonyms:
None
SMILES:
O=S(=O)(O)CC1=CC=C(C=C1)NC
Tpsa:
66.4
Logp:
1.1161
H Acceptors:
3
H Donors:
2
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: C₁₇H₁₇Cl₂N
Molecular Weight: 306.23
Synonyms: None
SMILES: ClC1=C([C@H]2C=3C([C@H](NC)CC2)=CC=CC3)C=CC=C1Cl
Tpsa: 12.03
Logp: 5.1796
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₇Cl₂N
Molecular Weight:
306.23
Synonyms:
None
SMILES:
ClC1=C([C@H]2C=3C([C@H](NC)CC2)=CC=CC3)C=CC=C1Cl
Tpsa:
12.03
Logp:
5.1796
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2