Bis(2,4,6-trichlorophenyl) Malonate - CAS 15781-70-1
Catalog: |
BB011356 |
Product Name: |
Bis(2,4,6-trichlorophenyl) Malonate |
CAS: |
15781-70-1 |
Synonyms: |
propanedioic acid bis(2,4,6-trichlorophenyl) ester; bis(2,4,6-trichlorophenyl) propanedioate |
IUPAC Name: | bis(2,4,6-trichlorophenyl) propanedioate |
Description: | Bis(2,4,6-trichlorophenyl) Malonate can be used as novel orally active inhibitor of HLE to treat chronic obstructive pulmonary diseases, asthma, emphysema, cystic fibrosis and several inflammatory diseases. |
Molecular Weight: | 462.92 |
Molecular Formula: | C15H6Cl6O4 |
Canonical SMILES: | C1=C(C=C(C(=C1Cl)OC(=O)CC(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl |
InChI: | InChI=1S/C15H6Cl6O4/c16-6-1-8(18)14(9(19)2-6)24-12(22)5-13(23)25-15-10(20)3-7(17)4-11(15)21/h1-4H,5H2 |
InChI Key: | WYPCGKBOSFOHGU-UHFFFAOYSA-N |
Boiling Point: | 559.6 °C at 760 mmHg |
Density: | 1.648 g/cm3 |
MDL: | MFCD00858973 |
LogP: | 6.50810 |
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 |
WO-2021064570-A1 | N-substututed-6-oxo-1,6-dihydropyrimidine-2-yl derivatives as inhibitors of the human immunodeficiency virus replication | 20191001 |
WO-2021007477-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 20190711 |
US-2020048249-A1 | Ptpn11 inhibitors | 20180810 |
WO-2020033828-A1 | 6-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3h)-one derivatives and related compounds as ptpn11 (shp2) inhibitors for treating cancer | 20180810 |
TW-202019900-A | PTPN11 inhibitor | 20180810 |
Complexity: | 427 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 461.836775 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 459.839725 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7 |
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