Methyl 3,5-dihydroxyphenylacetate - CAS 4724-10-1
Catalog: |
BB026240 |
Product Name: |
Methyl 3,5-dihydroxyphenylacetate |
CAS: |
4724-10-1 |
Synonyms: |
methyl 2-(3,5-dihydroxyphenyl)acetate |
IUPAC Name: | methyl 2-(3,5-dihydroxyphenyl)acetate |
Description: | Methyl 3,5-dihydroxyphenylacetate (CAS# 4724-10-1) is a reagent in the synthesis of the fungal metabolites cytosporones A, C, J, K, and N . |
Molecular Weight: | 182.17 |
Molecular Formula: | C9H10O4 |
Canonical SMILES: | COC(=O)CC1=CC(=CC(=C1)O)O |
InChI: | InChI=1S/C9H10O4/c1-13-9(12)4-6-2-7(10)5-8(11)3-6/h2-3,5,10-11H,4H2,1H3 |
InChI Key: | LMLSBPHXMGSGCR-UHFFFAOYSA-N |
Boiling Point: | 333.3 °C at 760 mmHg |
Density: | 1.309 g/cm3 |
Appearance: | White to brown solid |
MDL: | MFCD00091620 |
LogP: | 0.81330 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020148705-A1 | Spiro-Sulfonamide Derivatives As Inhibitors Of Myeloid Cell Leukemia-1 (MCL-1) Protein | 20181109 |
WO-2020097577-A1 | Spiro-sulfonamide derivatives as inhibitors of myeloid cell leukemia-1 (mcl-1) protein | 20181109 |
CN-113166173-A | Spiro-sulfonamide derivatives as inhibitors of myeloid leukemia 1(MCL-1) protein | 20181109 |
EP-3877390-A1 | Spiro-sulfonamide derivatives as inhibitors of myeloid cell leukemia-1 (mcl-1) protein | 20181109 |
KR-20210089662-A | Spiro-sulfonamide derivatives as inhibitors of myeloid cell leukemia-1 (MCL-1) protein | 20181109 |
PMID | Publication Date | Title | Journal |
19610616 | 20090813 | Combining hit identification strategies: fragment-based and in silico approaches to orally active 2-aminothieno[2,3-d]pyrimidine inhibitors of the Hsp90 molecular chaperone | Journal of medicinal chemistry |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.05790880 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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