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Palbociclib impurity 7

CAT: 0804-HY-Z6405-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Z6405-01Size:5 mg
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Description
Palbociclib impurity 7 is an impurity of Palbociclib.
CAS Number
386273-25-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Purity
99.97
Smiles
O=S(C1=CC=CC(C2=C(C)ON=C2C3=CC=CC=C3)=C1)(N)=O
Molecular Formula
C16H14N2O3S
Molecular Weight
314.37
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

3-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide
CAS Number386273-25-2
PubChem CID69910671
IUPAC Name3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
Molecular FormulaC16H14N2O3S
Molecular Weight314.4
XLogP2.6
Topological Polar Surface Area94.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity470
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N
InChI
InChI=1S/C16H14N2O3S/c1-11-15(13-8-5-9-14(10-13)22(17,19)20)16(18-21-11)12-6-3-2-4-7-12/h2-10H,1H3,(H2,17,19,20)
InChIKey
QHTHRXSCXPHAHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide
CAS: 386273-25-2
CID: 69910671
Formula: C16H14N2O3S
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass314.07251349
Monoisotopic Mass314.07251349
Topological Polar Surface Area94.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity470
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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