N-Carbethoxyphthalimide - CAS 22509-74-6
Catalog: |
BB017639 |
Product Name: |
N-Carbethoxyphthalimide |
CAS: |
22509-74-6 |
Synonyms: |
ethyl 1,3-dioxoisoindole-2-carboxylate |
IUPAC Name: | ethyl 1,3-dioxoisoindole-2-carboxylate |
Description: | N-Carbethoxyphthalimide (CAS# 22509-74-6) is used in the synthetic preparation of a novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors. |
Molecular Weight: | 219.19 |
Molecular Formula: | C11H9NO4 |
Canonical SMILES: | CCOC(=O)N1C(=O)C2=CC=CC=C2C1=O |
InChI: | InChI=1S/C11H9NO4/c1-2-16-11(15)12-9(13)7-5-3-4-6-8(7)10(12)14/h3-6H,2H2,1H3 |
InChI Key: | VRHAQNTWKSVEEC-UHFFFAOYSA-N |
Boiling Point: | 353.9 °C at 760 mmHg |
Melting Point: | 90-92 °C |
Purity: | > 98.0 % (N) |
Density: | 1.398 g/cm3 |
Appearance: | White crystalline powder |
Storage: | 0-6 °C |
MDL: | MFCD00005893 |
LogP: | 1.37700 |
Vapor Pressure: | 0.00000002 [mmHg] |
GHS Hazard Statement: | H315 (97.1%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, P333+P313, P362, P363, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021055705-A1 | Biaminoquinolines and nanoformulations for cancer treatment | 20190918 |
WO-2020232407-A1 | Peptide antibiotics and methods of use thereof | 20190516 |
WO-2020232407-A9 | Peptide antibiotics and methods of use thereof | 20190516 |
WO-2020232401-A1 | Combination therapies with ire1 small molecule inhibitors | 20190515 |
WO-2020232403-A1 | Treatment of fibrosis with ire1 small molecule inhibitors | 20190515 |
PMID | Publication Date | Title | Journal |
11762922 | 20010101 | Three-step synthesis of (R)- and (S)-thalidomides from ornithine | Enantiomer |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.05315777 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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