CS-1001384
Crizotinib Impurity 4
Manufacturer: ChemScene
CAS Number: 1428476-80-5
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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
C₂₃H₂₆Cl₂FN₅O
Molecular Weight
478.39
Synonyms
None
SMILES
O([C@H](C)C1=C(Cl)C(F)=CC=C1Cl)C2=CC(C3=CN(N=C3)C4CCN(CC)CC4)=CN=C2N
Tpsa
69.2
Logp
5.77
H Acceptors
6
H Donors
1
Rotatable Bonds
6
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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: C₂₃H₂₆Cl₂FN₅O
Molecular Weight: 478.39
Synonyms: None
SMILES: O([C@H](C)C1=C(Cl)C(F)=CC=C1Cl)C2=CC(C3=CN(N=C3)C4CCN(CC)CC4)=CN=C2N
Tpsa: 69.2
Logp: 5.77
H Acceptors: 6
H Donors: 1
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:
C₂₃H₂₆Cl₂FN₅O
Molecular Weight:
478.39
Synonyms:
None
SMILES:
O([C@H](C)C1=C(Cl)C(F)=CC=C1Cl)C2=CC(C3=CN(N=C3)C4CCN(CC)CC4)=CN=C2N
Tpsa:
69.2
Logp:
5.77
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
6
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₄H₃₆N₈O₂S₂
Molecular Weight: 772.94
Synonyms: None
SMILES: C(CC1=CC=CC=N1)(N2C=3C(C(/C=C\C4=CC=CC=N4)=N2)=CC=C(SC5=C(C(NC)=O)C=CC=C5)C3)C=6C=7C(NN6)=CC(SC8=C(C(NC)=O)C=CC=C8)=CC7
Tpsa: 130.48
Logp: 8.7267
H Acceptors: 9
H Donors: 3
Rotatable Bonds: 12
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₃₆N₈O₂S₂
Molecular Weight:
772.94
Synonyms:
None
SMILES:
C(CC1=CC=CC=N1)(N2C=3C(C(/C=C\C4=CC=CC=N4)=N2)=CC=C(SC5=C(C(NC)=O)C=CC=C5)C3)C=6C=7C(NN6)=CC(SC8=C(C(NC)=O)C=CC=C8)=CC7
Tpsa:
130.48
Logp:
8.7267
H Acceptors:
9
H Donors:
3
Rotatable Bonds:
12
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₄H₆₀N₂O₃
Molecular Weight: 664.96
Synonyms: None
SMILES: [C@H](CCN(C(C)C)C(C)C)(C1=CC(COCC2=CC([C@@H](CCN(C(C)C)C(C)C)C3=CC=CC=C3)=C(O)C=C2)=CC=C1O)C4=CC=CC=C4
Tpsa: 56.17
Logp: 10.0962
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 18
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₆₀N₂O₃
Molecular Weight:
664.96
Synonyms:
None
SMILES:
[C@H](CCN(C(C)C)C(C)C)(C1=CC(COCC2=CC([C@@H](CCN(C(C)C)C(C)C)C3=CC=CC=C3)=C(O)C=C2)=CC=C1O)C4=CC=CC=C4
Tpsa:
56.17
Logp:
10.0962
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₀ClNO₃
Molecular Weight: 263.68
Synonyms: None
SMILES: O=C(O)C=1C=CC=C(C1)C=2C=C(Cl)C=C(N)C2O
Tpsa: 83.55
Logp: 2.993
H Acceptors: 3
H Donors: 3
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:
C₁₃H₁₀ClNO₃
Molecular Weight:
263.68
Synonyms:
None
SMILES:
O=C(O)C=1C=CC=C(C1)C=2C=C(Cl)C=C(N)C2O
Tpsa:
83.55
Logp:
2.993
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
2