CS-0168329
Isopropyl 2-(2-nitrobenzylidene)-3-oxobutanoate Nimodipine Impurity
Manufacturer: ChemScene
CAS Number: 80880-60-0
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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
C₁₄H₁₅NO₅
Molecular Weight
277.27
Synonyms
Propan-2-yl 2-[(2-nitrophenyl)methylidene]-3-oxobutanoate
SMILES
CC(/C(C(OC(C)C)=O)=C\C1=CC=CC=C1[N+]([O-])=O)=O
Tpsa
86.51
Logp
2.5188
H Acceptors
5
H Donors
0
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 80880-60-0 | Butanoic acid, 2-[(2-nitrophenyl)methylene]-3-oxo-, 1-methylethyl ester | A2B Chem | -- |
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: C₁₄H₁₅NO₅
Molecular Weight: 277.27
Synonyms: Propan-2-yl 2-[(2-nitrophenyl)methylidene]-3-oxobutanoate
SMILES: CC(/C(C(OC(C)C)=O)=C\C1=CC=CC=C1[N+]([O-])=O)=O
Tpsa: 86.51
Logp: 2.5188
H Acceptors: 5
H Donors: 0
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:
C₁₄H₁₅NO₅
Molecular Weight:
277.27
Synonyms:
Propan-2-yl 2-[(2-nitrophenyl)methylidene]-3-oxobutanoate
SMILES:
CC(/C(C(OC(C)C)=O)=C\C1=CC=CC=C1[N+]([O-])=O)=O
Tpsa:
86.51
Logp:
2.5188
H Acceptors:
5
H Donors:
0
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: C₁₁H₉NO₂
Molecular Weight: 187.19
Synonyms: 2-methyl-6,7-dihydro-8H-indeno[5,4-d][1,3]oxazol-8-one
SMILES: O=C1CCC2=CC=C3N=C(C)OC3=C12
Tpsa: 43.1
Logp: 2.26512
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₉NO₂
Molecular Weight:
187.19
Synonyms:
2-methyl-6,7-dihydro-8H-indeno[5,4-d][1,3]oxazol-8-one
SMILES:
O=C1CCC2=CC=C3N=C(C)OC3=C12
Tpsa:
43.1
Logp:
2.26512
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₅NO₅
Molecular Weight: 277.27
Synonyms: propan-2-yl (2E)-2-(3-nitrobenzylidene)-3-oxobutanoate
SMILES: CC(/C(C(OC(C)C)=O)=C\C1=CC=CC([N+]([O-])=O)=C1)=O
Tpsa: 86.51
Logp: 2.5188
H Acceptors: 5
H Donors: 0
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:
C₁₄H₁₅NO₅
Molecular Weight:
277.27
Synonyms:
propan-2-yl (2E)-2-(3-nitrobenzylidene)-3-oxobutanoate
SMILES:
CC(/C(C(OC(C)C)=O)=C\C1=CC=CC([N+]([O-])=O)=C1)=O
Tpsa:
86.51
Logp:
2.5188
H Acceptors:
5
H Donors:
0
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: C₂₈H₂₄N₂O₃S₃
Molecular Weight: 532.70
Synonyms: 2-oxo-4-(benzothiazol-2-yl)dithio-α-isopropenyl-1-azetidine acetic acid benzhydryl ester
SMILES: O=C(OC(C1=CC=CC=C1)C2=CC=CC=C2)C(C(C)=C)N3C(SSC4=NC5=CC=CC=C5S4)CC3=O
Tpsa: 59.5
Logp: 6.8725
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₂₄N₂O₃S₃
Molecular Weight:
532.70
Synonyms:
2-oxo-4-(benzothiazol-2-yl)dithio-α-isopropenyl-1-azetidine acetic acid benzhydryl ester
SMILES:
O=C(OC(C1=CC=CC=C1)C2=CC=CC=C2)C(C(C)=C)N3C(SSC4=NC5=CC=CC=C5S4)CC3=O
Tpsa:
59.5
Logp:
6.8725
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
9