4-(4-Fluorobenzoyl)butyric Acid - CAS 149437-76-3
Catalog: |
BB010406 |
Product Name: |
4-(4-Fluorobenzoyl)butyric Acid |
CAS: |
149437-76-3 |
Synonyms: |
4-Fluorophenyl-5'-oxobutyric Acid; 4-Fluoro-δ-oxo-benzenepentanoic Acid; Ezetimibe Impurity P |
IUPAC Name: | 5-(4-fluorophenyl)-5-oxopentanoic acid |
Description: | An impurity of Ezetimibe. Ezetimibe inhibits intestinal cholesterol absorption by preventing cholesterol uptake by the Niemann-Pick C1-like 1 (NPC1L17) protein, a cholesterol transporter located in the apical membrane of enterocytes. |
Molecular Weight: | 210.20 |
Molecular Formula: | C11H11FO3 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)CCCC(=O)O)F |
InChI: | InChI=1S/C11H11FO3/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7H,1-3H2,(H,14,15) |
InChI Key: | ZBQROUOOMAMCQW-UHFFFAOYSA-N |
Boiling Point: | 394.6±22.0 °C at 760mmHg |
Melting Point: | 142-144°C |
Density: | 1.241±0.06 g/cm3 |
Solubility: | Soluble in DMSO, Methanol |
Appearance: | Off-white Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00667222 |
LogP: | 2.26330 |
GHS Hazard Statement: | H315 (41.18%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113162667-A | Hybrid precoding method, system, medium and communication device | 20210428 |
CN-112821925-A | Mixed beam forming algorithm based on large-scale MIMO antenna array | 20210121 |
CN-112778117-A | Method for synthesizing 4- (4-fluorobenzoyl) butyric acid and analogue thereof in continuous flow microreactor | 20201217 |
CN-112441959-A | Ezetimibe raw material medicine synthesis process | 20201207 |
CN-112019247-A | Hybrid precision phase shifting network with variable phase shifters and precoding method | 20200902 |
PMID | Publication Date | Title | Journal |
20740244 | 20101021 | Synthesis and application of 4-[(18)F]fluorobenzylamine: A versatile building block for the preparation of PET radiotracers | Organic & biomolecular chemistry |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.06922237 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.06922237 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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