N-Phenyl Isobutyrylacetamide - CAS 124401-38-3
Catalog: |
BB005886 |
Product Name: |
N-Phenyl Isobutyrylacetamide |
CAS: |
124401-38-3 |
Synonyms: |
4-methyl-3-oxo-N-phenyl-pentanamide |
IUPAC Name: | 4-methyl-3-oxo-N-phenylpentanamide |
Description: | N-Phenyl Isobutyrylacetamide is the impuritiy of Atorvastatin, a selective, competitive HMG-CoA reductase inhibitor. |
Molecular Weight: | 205.26 |
Molecular Formula: | C12H15NO |
Canonical SMILES: | CC(C)C(=O)CC(=O)NC1=CC=CC=C1 |
InChI: | InChI=1S/C12H15NO2/c1-9(2)11(14)8-12(15)13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,15) |
InChI Key: | ADHRFDCBLJVNFO-UHFFFAOYSA-N |
Boiling Point: | 384.4±25.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
Solubility: | Soluble in DMSO, Methanol |
Appearance: | Off-white to Pale Pink Solid |
Storage: | Store at -20°C |
LogP: | 2.31330 |
Publication Number | Title | Priority Date |
CN-111909048-A | Method for synthesizing atorvastatin calcium intermediate by multi-component one-pot method | 20200907 |
CN-111909048-B | Method for synthesizing atorvastatin calcium intermediate by multi-component one-pot method | 20200907 |
KR-102160377-B1 | Atorvastatin Derived HMG-CoA Reductase Degradation Inducing Compound | 20200325 |
US-11066391-B1 | Atorvastatin derived HMG-CoA reductase degradation inducing compound | 20200325 |
KR-20200125241-A | Cyclic ketone-fused γ-butenolide compounds and preparation method thereof | 20190426 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.110278721 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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