CS-0531818
(E)-Propyl 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)acrylate Entacapone Impurity
Manufacturer: ChemScene
CAS Number: 1364322-42-8
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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
C₁₃H₁₂N₂O₆
Molecular Weight
292.24
Synonyms
Propyl (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate
SMILES
CCCOC(/C(C#N)=C/C1=CC([N+]([O-])=O)=C(C(O)=C1)O)=O
Tpsa
133.69
Logp
1.86618
H Acceptors
7
H Donors
2
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1364322-42-8 | Entacapone EP Impurity I | A2B Chem | -- |
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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: C₁₃H₁₂N₂O₆
Molecular Weight: 292.24
Synonyms: Propyl (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate
SMILES: CCCOC(/C(C#N)=C/C1=CC([N+]([O-])=O)=C(C(O)=C1)O)=O
Tpsa: 133.69
Logp: 1.86618
H Acceptors: 7
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:
C₁₃H₁₂N₂O₆
Molecular Weight:
292.24
Synonyms:
Propyl (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate
SMILES:
CCCOC(/C(C#N)=C/C1=CC([N+]([O-])=O)=C(C(O)=C1)O)=O
Tpsa:
133.69
Logp:
1.86618
H Acceptors:
7
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: C₁₉H₂₅F₃N₂O₆
Molecular Weight: 434.41
Synonyms: Fluvoxamine EP Impurity B Maleate
SMILES: OC(/C=C\C(O)=O)=O.COCCCC/C(C1=CC=C(C=C1)C(F)(F)F)=N/OCCN
Tpsa: 131.44
Logp: 2.9133
H Acceptors: 6
H Donors: 3
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:
C₁₉H₂₅F₃N₂O₆
Molecular Weight:
434.41
Synonyms:
Fluvoxamine EP Impurity B Maleate
SMILES:
OC(/C=C\C(O)=O)=O.COCCCC/C(C1=CC=C(C=C1)C(F)(F)F)=N/OCCN
Tpsa:
131.44
Logp:
2.9133
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₆F₃N₃O₂
Molecular Weight: 361.40
Synonyms: N-(Ethylamino) Fluvoxamine
SMILES: FC(F)(C1=CC=C(/C(CCCCOC)=N\OCCNCCN)C=C1)F
Tpsa: 68.87
Logp: 2.7911
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₆F₃N₃O₂
Molecular Weight:
361.40
Synonyms:
N-(Ethylamino) Fluvoxamine
SMILES:
FC(F)(C1=CC=C(/C(CCCCOC)=N\OCCNCCN)C=C1)F
Tpsa:
68.87
Logp:
2.7911
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₂ClN₃O₃
Molecular Weight: 375.85
Synonyms: 6-Chloro-1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
SMILES: O=C(C1=CN(C2CC2)C3=CC(N4CCN(CC4)CC)=C(C=C3C1=O)Cl)O
Tpsa: 65.78
Logp: 2.8299
H Acceptors: 5
H Donors: 1
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:
C₁₉H₂₂ClN₃O₃
Molecular Weight:
375.85
Synonyms:
6-Chloro-1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
SMILES:
O=C(C1=CN(C2CC2)C3=CC(N4CCN(CC4)CC)=C(C=C3C1=O)Cl)O
Tpsa:
65.78
Logp:
2.8299
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4