(Z)-5-[(5-Fluoro-2-oxoindolin-3-ylidene)methyl]-2,4-dimethylpyrrole-3-carboxylic Acid - CAS 356068-93-4
Catalog: |
BB022699 |
Product Name: |
(Z)-5-[(5-Fluoro-2-oxoindolin-3-ylidene)methyl]-2,4-dimethylpyrrole-3-carboxylic Acid |
CAS: |
356068-93-4 |
Synonyms: |
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid; 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid |
IUPAC Name: | 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid |
Description: | (Z)-5-[(5-Fluoro-2-oxoindolin-3-ylidene)methyl]-2,4-dimethylpyrrole-3-carboxylic Acid (CAS# 356068-93-4) is an impurity of Sunitinib (S819995), a multi-kinase inhibitor targeting several receptor tyrosine kinases (RTK). Antineoplastic. |
Molecular Weight: | 300.28 |
Molecular Formula: | C16H13FN2O3 |
Canonical SMILES: | CC1=C(NC(=C1C(=O)O)C)C=C2C3=C(C=CC(=C3)F)NC2=O |
InChI: | InChI=1S/C16H13FN2O3/c1-7-13(18-8(2)14(7)16(21)22)6-11-10-5-9(17)3-4-12(10)19-15(11)20/h3-6,18H,1-2H3,(H,19,20)(H,21,22)/b11-6- |
InChI Key: | RBHBOUYXUXWCNJ-WDZFZDKYSA-N |
Boiling Point: | 588.448 °C at 760 mmHg |
Flash Point: | 309.683°C |
Purity: | 98% |
Density: | 1.454 g/cm3 |
LogP: | 3.09950 |
Refractive Index: | 1.69 |
Publication Number | Title | Priority Date |
US-2021170039-A1 | Dendrimer compositions and methods for drug delivery to the eye | 20191204 |
WO-2021113662-A2 | Dendrimer compositions and methods for drug delivery to the eye | 20191204 |
WO-2020227325-A1 | Heterobifunctional compounds as degraders of hpk1 | 20190506 |
WO-2020056156-A1 | Kits and methods for treating cancers | 20180914 |
EP-3539536-A1 | A pharmaceutical composition of sunitinib or its salt thereof in its polymorphic form i | 20180315 |
PMID | Publication Date | Title | Journal |
21515061 | 20110515 | Virtual screening and further development of novel ALK inhibitors | Bioorganic & medicinal chemistry |
Complexity: | 522 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 300.09102044 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.09102044 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 82.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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