CS-0379734
(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-pivalamido-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Ampicillin Impurity
Manufacturer: ChemScene
CAS Number: 6489-58-3
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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
C₁₃H₂₀N₂O₄S
Molecular Weight
300.37
Synonyms
(2S,5R,6R)-6-((2,2-Dimethylpropanoyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
SMILES
OC([C@@H]1N2[C@@](SC1(C)C)([H])[C@@H](C2=O)NC(C(C)(C)C)=O)=O
Tpsa
86.71
Logp
0.6642
H Acceptors
4
H Donors
2
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 6489-58-3 | Ampicillin t-Butyl-demethylbenzenemethanamine | 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: C₁₃H₂₀N₂O₄S
Molecular Weight: 300.37
Synonyms: (2S,5R,6R)-6-((2,2-Dimethylpropanoyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
SMILES: OC([C@@H]1N2[C@@](SC1(C)C)([H])[C@@H](C2=O)NC(C(C)(C)C)=O)=O
Tpsa: 86.71
Logp: 0.6642
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₀N₂O₄S
Molecular Weight:
300.37
Synonyms:
(2S,5R,6R)-6-((2,2-Dimethylpropanoyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
SMILES:
OC([C@@H]1N2[C@@](SC1(C)C)([H])[C@@H](C2=O)NC(C(C)(C)C)=O)=O
Tpsa:
86.71
Logp:
0.6642
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD03840831
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₂O₃
Molecular Weight: 204.22
Synonyms: Ethyl-3-(4-formylphenyl)acrylate
SMILES: O=C(OCC)/C=C/C1=CC=C(C=O)C=C1
Tpsa: 43.37
Logp: 2.0754
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD03840831
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₂O₃
Molecular Weight:
204.22
Synonyms:
Ethyl-3-(4-formylphenyl)acrylate
SMILES:
O=C(OCC)/C=C/C1=CC=C(C=O)C=C1
Tpsa:
43.37
Logp:
2.0754
H Acceptors:
3
H Donors:
0
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: C₁₂H₁₆O₄S
Molecular Weight: 256.32
Synonyms: Apremilast Impurity 82
SMILES: O=S(/C=C/C1=CC=C(OC)C(OCC)=C1)(C)=O
Tpsa: 52.6
Logp: 2.1092
H Acceptors: 4
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:
C₁₂H₁₆O₄S
Molecular Weight:
256.32
Synonyms:
Apremilast Impurity 82
SMILES:
O=S(/C=C/C1=CC=C(OC)C(OCC)=C1)(C)=O
Tpsa:
52.6
Logp:
2.1092
H Acceptors:
4
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: C₂₁H₂₅ClFN₃O₄
Molecular Weight: 437.89
Synonyms: 1-cyclopropyl-6-fluoro-8-methoxy-7-((4aR,7aR)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
SMILES: COC1=C2N(C3CC3)C=C(C(C2=CC(F)=C1N4C[C@]5([H])[C@](NCCC5)([H])C4)=O)C(O)=O.Cl
Tpsa: 83.8
Logp: 2.7923
H Acceptors: 6
H Donors: 2
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:
C₂₁H₂₅ClFN₃O₄
Molecular Weight:
437.89
Synonyms:
1-cyclopropyl-6-fluoro-8-methoxy-7-((4aR,7aR)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
SMILES:
COC1=C2N(C3CC3)C=C(C(C2=CC(F)=C1N4C[C@]5([H])[C@](NCCC5)([H])C4)=O)C(O)=O.Cl
Tpsa:
83.8
Logp:
2.7923
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
4