CS-0531643
N-(3-Acetyl-4-(oxiran-2-ylmethoxy)phenyl)butyramide Acebutolol Impurity
Manufacturer: ChemScene
CAS Number: 28197-66-2
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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
C₁₅H₁₉NO₄
Molecular Weight
277.32
Synonyms
N-(3-Acetyl-4-(oxiran-2-ylmethoxy)phenyl)butanamide
SMILES
O=C(CCC)NC1=CC=C(C(C(C)=O)=C1)OCC2OC2
Tpsa
67.93
Logp
2.4054
H Acceptors
4
H Donors
1
Rotatable Bonds
7
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 28197-66-2 | N-(3-Acetyl-4-(oxiran-2-ylmethoxy)phenyl)butyramide | 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
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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: C₁₅H₁₉NO₄
Molecular Weight: 277.32
Synonyms: N-(3-Acetyl-4-(oxiran-2-ylmethoxy)phenyl)butanamide
SMILES: O=C(CCC)NC1=CC=C(C(C(C)=O)=C1)OCC2OC2
Tpsa: 67.93
Logp: 2.4054
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₉NO₄
Molecular Weight:
277.32
Synonyms:
N-(3-Acetyl-4-(oxiran-2-ylmethoxy)phenyl)butanamide
SMILES:
O=C(CCC)NC1=CC=C(C(C(C)=O)=C1)OCC2OC2
Tpsa:
67.93
Logp:
2.4054
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: MFCD20264923
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₆ClFO₃
Molecular Weight: 392.89
Synonyms: (8S,10S,11S,13S,14S)-17-(2-Chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-3-one
SMILES: F[C@@]12[C@](CCC([C@@]2(C=C3)C)=CC3=O)([H])[C@@]4([H])[C@](C[C@@H]1O)(C(C(CCl)=O)=C(C4)C)C
Tpsa: 54.37
Logp: 4.0915
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD20264923
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₆ClFO₃
Molecular Weight:
392.89
Synonyms:
(8S,10S,11S,13S,14S)-17-(2-Chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-3-one
SMILES:
F[C@@]12[C@](CCC([C@@]2(C=C3)C)=CC3=O)([H])[C@@]4([H])[C@](C[C@@H]1O)(C(C(CCl)=O)=C(C4)C)C
Tpsa:
54.37
Logp:
4.0915
H Acceptors:
3
H Donors:
1
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: C₁₅H₂₁NO₅
Molecular Weight: 295.33
Synonyms: N-(3-Acetyl-4-(2,3-dihydroxypropoxy)phenyl)butanamide
SMILES: O=C(C)C1=CC(NC(CCC)=O)=CC=C1OCC(CO)O
Tpsa: 95.86
Logp: 1.3598
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₁NO₅
Molecular Weight:
295.33
Synonyms:
N-(3-Acetyl-4-(2,3-dihydroxypropoxy)phenyl)butanamide
SMILES:
O=C(C)C1=CC(NC(CCC)=O)=CC=C1OCC(CO)O
Tpsa:
95.86
Logp:
1.3598
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₄₇N₃O₈
Molecular Weight: 613.74
Synonyms: Acebutolol dimer
SMILES: O=C(C)C1=CC(NC(CCC)=O)=CC=C1OCC(CN(C(C)C)CC(COC2=CC=C(NC(CCC)=O)C=C2C(C)=O)O)O
Tpsa: 154.5
Logp: 4.459
H Acceptors: 9
H Donors: 4
Rotatable Bonds: 19
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₄₇N₃O₈
Molecular Weight:
613.74
Synonyms:
Acebutolol dimer
SMILES:
O=C(C)C1=CC(NC(CCC)=O)=CC=C1OCC(CN(C(C)C)CC(COC2=CC=C(NC(CCC)=O)C=C2C(C)=O)O)O
Tpsa:
154.5
Logp:
4.459
H Acceptors:
9
H Donors:
4
Rotatable Bonds:
19