2-Hydroxyisocaproic acid - CAS 498-36-2
Catalog: |
BB026838 |
Product Name: |
2-Hydroxyisocaproic acid |
CAS: |
498-36-2 |
Synonyms: |
2-hydroxy-4-methylpentanoic acid |
IUPAC Name: | 2-hydroxy-4-methylpentanoic acid |
Description: | 2-Hydroxyisocaproic acid (CAS# 498-36-2) is an intermediate used to prepare aryl-substituted indazole derivatives as modulators and inhibitors of protein kinases in the treatment of tumor growth, cellular proliferation, and angiogenesis. |
Molecular Weight: | 132.16 |
Molecular Formula: | C6H12O3 |
Canonical SMILES: | CC(C)CC(C(=O)O)O |
InChI: | InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) |
InChI Key: | LVRFTAZAXQPQHI-UHFFFAOYSA-N |
Boiling Point: | 251.314 °C at 760 mmHg |
Melting Point: | 78-80 °C |
Purity: | 95 % |
Density: | 1.097 g/cm3 |
Solubility: | 886 mg/mL |
Appearance: | Solid |
LogP: | 0.47800 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113456647-A | Composition, preparation method and application thereof, preparation and application thereof | 20210716 |
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PMID | Publication Date | Title | Journal |
24125484 | 20140401 | 2-hydroxyisocaproic acid is fungicidal for Candida and Aspergillus species | Mycoses |
22894895 | 20121101 | One Perkinsus species may hide another: characterization of Perkinsus species present in clam production areas of France | Parasitology |
22483561 | 20120601 | 2-Hydroxyisocaproic acid (HICA): a new potential topical antibacterial agent | International journal of antimicrobial agents |
22289691 | 20120401 | Development of a continuous assay and steady-state characterization of Escherichia coli threonine synthase | Analytical biochemistry |
21729073 | 20110801 | Antifungal activity of 2 lactic acid bacteria of the\u2002Weissella\u2002genus isolated from food | Journal of food science |
Complexity: | 98.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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