CS-1005290
Opicapone Impurity 1
Manufacturer: ChemScene
CAS Number: 91591-66-1
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₉H₉ClN₂O
Molecular Weight
196.63
Synonyms
None
SMILES
N#CC1=C(N=C(C(Cl)=C1C)C)OC
Tpsa
45.91
Logp
2.23212
H Acceptors
3
H Donors
0
Rotatable Bonds
1
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₉ClN₂O
Molecular Weight: 196.63
Synonyms: None
SMILES: N#CC1=C(N=C(C(Cl)=C1C)C)OC
Tpsa: 45.91
Logp: 2.23212
H Acceptors: 3
H Donors: 0
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:
C₉H₉ClN₂O
Molecular Weight:
196.63
Synonyms:
None
SMILES:
N#CC1=C(N=C(C(Cl)=C1C)C)OC
Tpsa:
45.91
Logp:
2.23212
H Acceptors:
3
H Donors:
0
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: C₅H₈O₂S
Molecular Weight: 132.18
Synonyms: None
SMILES: C(=O)(S)[C@@H]1CCCO1
Tpsa: 26.3
Logp: 0.6218
H Acceptors: 2
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:
C₅H₈O₂S
Molecular Weight:
132.18
Synonyms:
None
SMILES:
C(=O)(S)[C@@H]1CCCO1
Tpsa:
26.3
Logp:
0.6218
H Acceptors:
2
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: C₁₂H₁₅NO₄
Molecular Weight: 237.25
Synonyms: None
SMILES: O=C(O)C(C1=CC=C(C=C1)N(=O)=O)(CC)CC
Tpsa: 80.44
Logp: 2.7372
H Acceptors: 3
H Donors: 1
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:
C₁₂H₁₅NO₄
Molecular Weight:
237.25
Synonyms:
None
SMILES:
O=C(O)C(C1=CC=C(C=C1)N(=O)=O)(CC)CC
Tpsa:
80.44
Logp:
2.7372
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₃₀N₂O₆
Molecular Weight: 490.55
Synonyms: None
SMILES: N(CC1=CC(O[C@H](C(O)=O)CC)=CC=C1)(CCCOC2=CC=C(OC)C=C2)C3=NC=4C(O3)=CC=CC4
Tpsa: 94.26
Logp: 5.5541
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₃₀N₂O₆
Molecular Weight:
490.55
Synonyms:
None
SMILES:
N(CC1=CC(O[C@H](C(O)=O)CC)=CC=C1)(CCCOC2=CC=C(OC)C=C2)C3=NC=4C(O3)=CC=CC4
Tpsa:
94.26
Logp:
5.5541
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
13