CS-0531722
(E)-3-(3,4-Dihydroxy-5-nitrophenyl)-2-(piperidine-1-carbonyl)acrylonitrile Entacapone Impurity
Manufacturer: ChemScene
CAS Number: 1150310-15-8
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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
C₁₅H₁₅N₃O₅
Molecular Weight
317.30
Synonyms
(2E)-3-(3,4-Dihydroxy-5-nitrophenyl)-2-(piperidin-1-ylcarbonyl)prop-2-ennitrile
SMILES
O=C(N1CCCCC1)/C(C#N)=C/C2=CC([N+]([O-])=O)=C(C(O)=C2)O
Tpsa
127.7
Logp
1.92548
H Acceptors
6
H Donors
2
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1150310-15-8 | (alphaE)-alpha-[(3,4-Dihydroxy-5-nitrophenyl)methylene]-beta-oxo-1-piperidinepropanenitrile | 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: C₁₅H₁₅N₃O₅
Molecular Weight: 317.30
Synonyms: (2E)-3-(3,4-Dihydroxy-5-nitrophenyl)-2-(piperidin-1-ylcarbonyl)prop-2-ennitrile
SMILES: O=C(N1CCCCC1)/C(C#N)=C/C2=CC([N+]([O-])=O)=C(C(O)=C2)O
Tpsa: 127.7
Logp: 1.92548
H Acceptors: 6
H Donors: 2
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:
C₁₅H₁₅N₃O₅
Molecular Weight:
317.30
Synonyms:
(2E)-3-(3,4-Dihydroxy-5-nitrophenyl)-2-(piperidin-1-ylcarbonyl)prop-2-ennitrile
SMILES:
O=C(N1CCCCC1)/C(C#N)=C/C2=CC([N+]([O-])=O)=C(C(O)=C2)O
Tpsa:
127.7
Logp:
1.92548
H Acceptors:
6
H Donors:
2
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: C₂₆H₃₃FO₇
Molecular Weight: 476.53
Synonyms: Dexamethasone 11,21-diacetate
SMILES: F[C@@]12[C@](CCC([C@@]2(C=C3)C)=CC3=O)([H])[C@@]4([H])[C@](C[C@@H]1OC(C)=O)([C@](O)([C@@H](C4)C)C(COC(C)=O)=O)C
Tpsa: 106.97
Logp: 3.0373
H Acceptors: 7
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:
C₂₆H₃₃FO₇
Molecular Weight:
476.53
Synonyms:
Dexamethasone 11,21-diacetate
SMILES:
F[C@@]12[C@](CCC([C@@]2(C=C3)C)=CC3=O)([H])[C@@]4([H])[C@](C[C@@H]1OC(C)=O)([C@](O)([C@@H](C4)C)C(COC(C)=O)=O)C
Tpsa:
106.97
Logp:
3.0373
H Acceptors:
7
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: C₂₀H₂₇N₁₁O₆S₅
Molecular Weight: 677.82
Synonyms: Famotidine EP Impurity B Maleate
SMILES: OC(/C=C\C(O)=O)=O.N=C(N)NC1=NC(CSCCC(NC(CCSCC2=CSC(NC(N)=N)=N2)=N3)=NS3(=O)=O)=CS1
Tpsa: 295.07
Logp: 1.51394
H Acceptors: 13
H Donors: 9
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₇N₁₁O₆S₅
Molecular Weight:
677.82
Synonyms:
Famotidine EP Impurity B Maleate
SMILES:
OC(/C=C\C(O)=O)=O.N=C(N)NC1=NC(CSCCC(NC(CCSCC2=CSC(NC(N)=N)=N2)=N3)=NS3(=O)=O)=CS1
Tpsa:
295.07
Logp:
1.51394
H Acceptors:
13
H Donors:
9
Rotatable Bonds:
14
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₀O₆
Molecular Weight: 414.49
Synonyms: 21-O-Acetyl Dexamethasone 9,11-Epoxide
SMILES: C[C@@]12[C@@]34[C@](CCC1=CC(C=C2)=O)([H])[C@@]5([H])[C@](C[C@]3([H])O4)([C@](O)([C@@H](C5)C)C(COC(C)=O)=O)C
Tpsa: 93.2
Logp: 2.5349
H Acceptors: 6
H Donors: 1
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:
C₂₄H₃₀O₆
Molecular Weight:
414.49
Synonyms:
21-O-Acetyl Dexamethasone 9,11-Epoxide
SMILES:
C[C@@]12[C@@]34[C@](CCC1=CC(C=C2)=O)([H])[C@@]5([H])[C@](C[C@]3([H])O4)([C@](O)([C@@H](C5)C)C(COC(C)=O)=O)C
Tpsa:
93.2
Logp:
2.5349
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
3