CS-1000557
Safinamide Impurity U
Manufacturer: ChemScene
CAS Number: 1161738-28-8
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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
C₂₄H₂₄F₂N₂O₂
Molecular Weight
410.46
Synonyms
None
SMILES
C(C1=C(OCC2=CC(F)=CC=C2)C=CC(CN[C@@H](C(N)=O)C)=C1)C3=CC(F)=CC=C3
Tpsa
64.35
Logp
4.098
H Acceptors
3
H Donors
2
Rotatable Bonds
9
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: C₂₄H₂₄F₂N₂O₂
Molecular Weight: 410.46
Synonyms: None
SMILES: C(C1=C(OCC2=CC(F)=CC=C2)C=CC(CN[C@@H](C(N)=O)C)=C1)C3=CC(F)=CC=C3
Tpsa: 64.35
Logp: 4.098
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₄F₂N₂O₂
Molecular Weight:
410.46
Synonyms:
None
SMILES:
C(C1=C(OCC2=CC(F)=CC=C2)C=CC(CN[C@@H](C(N)=O)C)=C1)C3=CC(F)=CC=C3
Tpsa:
64.35
Logp:
4.098
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₃₆N₂O₄
Molecular Weight: 404.54
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(NC(=O)CC4)[H])(CC1)[H])[H])(CC[C@@H]2C(NC(C(O)=O)(C)C)=O)[H]
Tpsa: 95.5
Logp: 3.1032
H Acceptors: 3
H Donors: 3
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:
C₂₃H₃₆N₂O₄
Molecular Weight:
404.54
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(NC(=O)CC4)[H])(CC1)[H])[H])(CC[C@@H]2C(NC(C(O)=O)(C)C)=O)[H]
Tpsa:
95.5
Logp:
3.1032
H Acceptors:
3
H Donors:
3
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: C₁₁H₁₂N₂O
Molecular Weight: 188.23
Synonyms: None
SMILES: O=C(C)CC1=CN2C=CN=C2C=C1C
Tpsa: 34.37
Logp: 1.77422
H Acceptors: 3
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:
C₁₁H₁₂N₂O
Molecular Weight:
188.23
Synonyms:
None
SMILES:
O=C(C)CC1=CN2C=CN=C2C=C1C
Tpsa:
34.37
Logp:
1.77422
H Acceptors:
3
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: C₁₁H₁₂N₂
Molecular Weight: 172.23
Synonyms: None
SMILES: N=1C=CN2C=C(C=CC12)CC(=C)C
Tpsa: 17.3
Logp: 2.4529
H Acceptors: 2
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:
C₁₁H₁₂N₂
Molecular Weight:
172.23
Synonyms:
None
SMILES:
N=1C=CN2C=C(C=CC12)CC(=C)C
Tpsa:
17.3
Logp:
2.4529
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2