CS-0644838
5-(3-(2,5-Dichloro-6-(hydroxymethyl)-4-methylpyridin-3-yl)-1,2,4-oxadiazol-5-yl)-3-nitrobenzene-1,2-diol Opicapone impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₁₅H₁₀Cl₂N₄O₆
Molecular Weight
413.17
Synonyms
None
SMILES
ClC1=NC(CO)=C(C(C)=C1C2=NOC(C3=CC([N+]([O-])=O)=C(C(O)=C3)O)=N2)Cl
Tpsa
155.64
Logp
3.22552
H Acceptors
9
H Donors
3
Rotatable Bonds
4
Other Options
...
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: C₁₅H₁₀Cl₂N₄O₆
Molecular Weight: 413.17
Synonyms: None
SMILES: ClC1=NC(CO)=C(C(C)=C1C2=NOC(C3=CC([N+]([O-])=O)=C(C(O)=C3)O)=N2)Cl
Tpsa: 155.64
Logp: 3.22552
H Acceptors: 9
H Donors: 3
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:
C₁₅H₁₀Cl₂N₄O₆
Molecular Weight:
413.17
Synonyms:
None
SMILES:
ClC1=NC(CO)=C(C(C)=C1C2=NOC(C3=CC([N+]([O-])=O)=C(C(O)=C3)O)=N2)Cl
Tpsa:
155.64
Logp:
3.22552
H Acceptors:
9
H Donors:
3
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₃O₄P
Molecular Weight: 262.28
Synonyms: None
SMILES: O=C(CP(OCC)(OCC)=O)C1CCCCC1
Tpsa: 52.6
Logp: 3.4019
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 7
Purity:
95%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₃O₄P
Molecular Weight:
262.28
Synonyms:
None
SMILES:
O=C(CP(OCC)(OCC)=O)C1CCCCC1
Tpsa:
52.6
Logp:
3.4019
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₂₄BrO₂P
Molecular Weight: 491.36
Synonyms: None
SMILES: O=C(OC)C1=CC(C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)=CC=C1.[Br-]
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₂₄BrO₂P
Molecular Weight:
491.36
Synonyms:
None
SMILES:
O=C(OC)C1=CC(C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)=CC=C1.[Br-]
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₄₇N₃O₆
Molecular Weight: 629.79
Synonyms: None
SMILES: CC(C[C@@H](C(N[C@@H](C(OCC1=CC=CC=C1)=O)CC2=CC=CC=C2)=O)NC([C@@H](NC(OC(C)(C)C)=O)CCC3=CC=CC=C3)=O)C
Tpsa: 122.83
Logp: 5.5143
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₄₇N₃O₆
Molecular Weight:
629.79
Synonyms:
None
SMILES:
CC(C[C@@H](C(N[C@@H](C(OCC1=CC=CC=C1)=O)CC2=CC=CC=C2)=O)NC([C@@H](NC(OC(C)(C)C)=O)CCC3=CC=CC=C3)=O)C
Tpsa:
122.83
Logp:
5.5143
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
15