Diethyl [2-(1,3-Dioxo-2-isoindolinyl)ethyl]phosphonate - CAS 62514-90-3
Catalog: |
BB031633 |
Product Name: |
Diethyl [2-(1,3-Dioxo-2-isoindolinyl)ethyl]phosphonate |
CAS: |
62514-90-3 |
Synonyms: |
2-(2-diethoxyphosphorylethyl)isoindole-1,3-dione; 2-(2-diethoxyphosphorylethyl)isoindole-1,3-dione |
IUPAC Name: | 2-(2-diethoxyphosphorylethyl)isoindole-1,3-dione |
Description: | Diethyl [2-(1,3-Dioxo-2-isoindolinyl)ethyl]phosphonate (CAS# 62514-90-3 ) is a useful research chemical. |
Molecular Weight: | 311.27 |
Molecular Formula: | C14H18NO5P |
Canonical SMILES: | CCOP(=O)(CCN1C(=O)C2=CC=CC=C2C1=O)OCC |
InChI: | InChI=1S/C14H18NO5P/c1-3-19-21(18,20-4-2)10-9-15-13(16)11-7-5-6-8-12(11)14(15)17/h5-8H,3-4,9-10H2,1-2H3 |
InChI Key: | IQYFOIPYVGDPHE-UHFFFAOYSA-N |
Boiling Point: | 442.7 °C at 760 mmHg |
Density: | 1.28 g/cm3 |
LogP: | 2.48660 |
Publication Number | Title | Priority Date |
WO-2018129556-A1 | Compounds and methods for inhibiting nhe-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders | 20170109 |
AU-2009334511-A1 | Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders | 20081231 |
AU-2009334511-B2 | Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders | 20081231 |
AU-2009334511-C1 | Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders | 20081231 |
CA-2748607-A1 | Compounds and methods for inhibiting nhe-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders | 20081231 |
Complexity: | 419 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 311.09225967 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 311.09225967 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 72.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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