Palbociclib Impurity 17 - CAS 1439-36-7
Catalog: |
BB009692 |
Product Name: |
Palbociclib Impurity 17 |
CAS: |
1439-36-7 |
Synonyms: |
1-(Triphenylphosphoranylidene)propan-2-one; 1-(Triphenylphosphoranylidene)-2-propanone; 1-(Triphenylphosphoranylidene)acetone |
IUPAC Name: | 1-(triphenyl-λ5-phosphanylidene)propan-2-one |
Description: | Palbociclib Impurity 17 is an impurity of Palbociclib, a medication for the treatment of HR-positive and HER2-negative breast cancer. It is a selective inhibitor of the cyclin-dependent kinases CDK4 and CDK6. |
Molecular Weight: | 318.36 |
Molecular Formula: | C21H19OP |
Canonical SMILES: | CC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
InChI: | InChI=1S/C21H19OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3 |
InChI Key: | KAANTNXREIRLCT-UHFFFAOYSA-N |
Boiling Point: | 478.5±28.0 °C at 760 mmHg |
Melting Point: | 204-205°C |
Purity: | >98.0% |
Density: | 1.1±0.1 g/cm3 |
Solubility: | Soluble in Chloroform, Methanol (Sparingly) |
Appearance: | Off-White Solid |
Storage: | Store at -20°C |
MDL: | MFCD00008774 |
LogP: | 3.37170 |
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 |
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PMID | Publication Date | Title | Journal |
15787578 | 20050401 | Highly substituted tetrahydropyrones from hetero-Diels-Alder reactions of 2-alkenals with stereochemical induction from chiral dienes | The Journal of organic chemistry |
15390208 | 20041025 | Towards organo-click chemistry: development of organocatalytic multicomponent reactions through combinations of aldol, Wittig, Knoevenagel, Michael, Diels-Alder and Huisgen cycloaddition reactions | Chemistry (Weinheim an der Bergstrasse, Germany) |
12558430 | 20030207 | Preparation and chemistry of phosphoranyl-derived iodanes | The Journal of organic chemistry |
Complexity: | 383 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 318.117352223 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 318.117352223 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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