CS-1003056
Larotrectinib Impurity 1
Manufacturer: ChemScene
CAS Number: 2409590-08-3
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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
C₂₁H₂₂F₂N₆O₂
Molecular Weight
428.44
Synonyms
None
SMILES
FC1=C([C@H]2N(CCC2)C3=NC4=C(NC(=O)N5CC[C@@H](O)C5)C=NN4C=C3)C=C(F)C=C1
Tpsa
86
Logp
2.9475
H Acceptors
6
H Donors
2
Rotatable Bonds
3
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: C₂₁H₂₂F₂N₆O₂
Molecular Weight: 428.44
Synonyms: None
SMILES: FC1=C([C@H]2N(CCC2)C3=NC4=C(NC(=O)N5CC[C@@H](O)C5)C=NN4C=C3)C=C(F)C=C1
Tpsa: 86
Logp: 2.9475
H Acceptors: 6
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:
C₂₁H₂₂F₂N₆O₂
Molecular Weight:
428.44
Synonyms:
None
SMILES:
FC1=C([C@H]2N(CCC2)C3=NC4=C(NC(=O)N5CC[C@@H](O)C5)C=NN4C=C3)C=C(F)C=C1
Tpsa:
86
Logp:
2.9475
H Acceptors:
6
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: C₂₅H₃₀N₆O₈S₃
Molecular Weight: 638.74
Synonyms: None
SMILES: C(OCOC(C(C)(C)C)=O)(=O)C1=C(/C=C\C2=C(C)N=CS2)CS[C@]([C@H](NC(/C(=N\OC)/C=3N=C(N)SC3)=O)C(O)=O)(N1)[H]
Tpsa: 204.42
Logp: 2.13012
H Acceptors: 15
H Donors: 4
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₀N₆O₈S₃
Molecular Weight:
638.74
Synonyms:
None
SMILES:
C(OCOC(C(C)(C)C)=O)(=O)C1=C(/C=C\C2=C(C)N=CS2)CS[C@]([C@H](NC(/C(=N\OC)/C=3N=C(N)SC3)=O)C(O)=O)(N1)[H]
Tpsa:
204.42
Logp:
2.13012
H Acceptors:
15
H Donors:
4
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₈H₆₀N₄O₁₂
Molecular Weight: 764.90
Synonyms: None
SMILES: O=C(OCC)CCC(C(=O)OCC)N1CC=2N=C(C=CC2)CN(CCN(CC1)C(C(=O)OCC)CCC(=O)OCC)C(C(=O)OCC)CCC(=O)OCC
Tpsa: 180.41
Logp: 2.8262
H Acceptors: 16
H Donors: 0
Rotatable Bonds: 21
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₆₀N₄O₁₂
Molecular Weight:
764.90
Synonyms:
None
SMILES:
O=C(OCC)CCC(C(=O)OCC)N1CC=2N=C(C=CC2)CN(CCN(CC1)C(C(=O)OCC)CCC(=O)OCC)C(C(=O)OCC)CCC(=O)OCC
Tpsa:
180.41
Logp:
2.8262
H Acceptors:
16
H Donors:
0
Rotatable Bonds:
21
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₃₀BrN₅O₃
Molecular Weight: 492.41
Synonyms: None
SMILES: O=C(OC(C)(C)C)N1CCN(C=2N=CC3=C(N2)N(C(=O)C(Br)=C3C)C4CCCC4)CC1
Tpsa: 80.56
Logp: 4.03462
H Acceptors: 7
H Donors: 0
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:
C₂₂H₃₀BrN₅O₃
Molecular Weight:
492.41
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N1CCN(C=2N=CC3=C(N2)N(C(=O)C(Br)=C3C)C4CCCC4)CC1
Tpsa:
80.56
Logp:
4.03462
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
2