CS-0644925
4-(3-(2,5-Dichloro-6-(hydroxymethyl)-4-methylpyridin-3-yl)-1,2,4-oxadiazol-5-yl)-2-methoxy-6-nitrophenol(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
C₁₆H₁₂Cl₂N₄O₆
Molecular Weight
427.20
Synonyms
None
SMILES
OC(C(OC)=CC(C1=NC(C2=C(C(Cl)=C(N=C2Cl)CO)C)=NO1)=C3)=C3[N+]([O-])=O
Tpsa
144.64
Logp
3.52852
H Acceptors
9
H Donors
2
Rotatable Bonds
5
Other Options
...
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: C₁₆H₁₂Cl₂N₄O₆
Molecular Weight: 427.20
Synonyms: None
SMILES: OC(C(OC)=CC(C1=NC(C2=C(C(Cl)=C(N=C2Cl)CO)C)=NO1)=C3)=C3[N+]([O-])=O
Tpsa: 144.64
Logp: 3.52852
H Acceptors: 9
H Donors: 2
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:
C₁₆H₁₂Cl₂N₄O₆
Molecular Weight:
427.20
Synonyms:
None
SMILES:
OC(C(OC)=CC(C1=NC(C2=C(C(Cl)=C(N=C2Cl)CO)C)=NO1)=C3)=C3[N+]([O-])=O
Tpsa:
144.64
Logp:
3.52852
H Acceptors:
9
H Donors:
2
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: C₆₄H₈₆N₁₀O₉
Molecular Weight: 1139.43
Synonyms: None
SMILES: C/C=C\CN(CC(N[C@H](C(N[C@H](C(NC(C(NNC(C(NC([C@@H](NC(/C(CCC1=CC=CC=C1)=N/C(CN2CCOCC2)=O)=O)CC(C)C)=O)CC3=CC=CC=C3)=O)=O)CC4=CC=CC=C4)=O)CC(C)C)=O)CCC5=CC=CC=C5)=O)CC
Tpsa: 248.84
Logp: 4.5988
H Acceptors: 11
H Donors: 7
Rotatable Bonds: 32
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆₄H₈₆N₁₀O₉
Molecular Weight:
1139.43
Synonyms:
None
SMILES:
C/C=C\CN(CC(N[C@H](C(N[C@H](C(NC(C(NNC(C(NC([C@@H](NC(/C(CCC1=CC=CC=C1)=N/C(CN2CCOCC2)=O)=O)CC(C)C)=O)CC3=CC=CC=C3)=O)=O)CC4=CC=CC=C4)=O)CC(C)C)=O)CCC5=CC=CC=C5)=O)CC
Tpsa:
248.84
Logp:
4.5988
H Acceptors:
11
H Donors:
7
Rotatable Bonds:
32
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₈H₆₉N₅O₁₂
Molecular Weight: 908.09
Synonyms: None
SMILES: CC(CC(CC(OCC(O)(C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CN1CCOCC1)=O)CCC2=CC=CC=C2)=O)CC(C)C)=O)CC3=CC=CC=C3)=O)CC(C)C)=O)C)=O)(C(O)=O)C)=O
Tpsa: 246.84
Logp: 2.5489
H Acceptors: 12
H Donors: 6
Rotatable Bonds: 27
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₈H₆₉N₅O₁₂
Molecular Weight:
908.09
Synonyms:
None
SMILES:
CC(CC(CC(OCC(O)(C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CN1CCOCC1)=O)CCC2=CC=CC=C2)=O)CC(C)C)=O)CC3=CC=CC=C3)=O)CC(C)C)=O)C)=O)(C(O)=O)C)=O
Tpsa:
246.84
Logp:
2.5489
H Acceptors:
12
H Donors:
6
Rotatable Bonds:
27
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₁H₅₉N₅O₆
Molecular Weight: 717.94
Synonyms: None
SMILES: CC(C[C@@H](C(C1(CC1)C)=O)NC([C@@H](NC([C@H](NC([C@@H](NC(CN2CCOCC2)=O)CCC3=CC=CC=C3)=O)CC(C)C)=O)CC4=CC=CC=C4)=O)C
Tpsa: 145.94
Logp: 3.5947
H Acceptors: 7
H Donors: 4
Rotatable Bonds: 20
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₁H₅₉N₅O₆
Molecular Weight:
717.94
Synonyms:
None
SMILES:
CC(C[C@@H](C(C1(CC1)C)=O)NC([C@@H](NC([C@H](NC([C@@H](NC(CN2CCOCC2)=O)CCC3=CC=CC=C3)=O)CC(C)C)=O)CC4=CC=CC=C4)=O)C
Tpsa:
145.94
Logp:
3.5947
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
20