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Zaleplon Impurity F

CAT: 1459-CS-Y-00093Size: 1 EachDry Ice: NoHazardous: No
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Description
Zaleplon Impurity F is listed under Impurity and is intended for research and analytical applications. It is associated with Zaleplon. This is a controlled substance entry for enquiry only. Any possible supply discussion is subject to due diligence, certification, permits, documentation, intended end-use and applicable compliance review. This controlled substance entry is shown for qualified research enquiry and compliance review, with product information including CAS number, molecular formula, molecular weight and enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
940951-61-1
Synonyms
Zaleplon Impurity F
Molecular Formula
C 30 H 28 N 6 O 3
Molecular Weight
520.6
Additionnal Information
Zaleplon Impurity F is a controlled substance reference entry. Enquiries are reviewed for organization details, intended end-use, certifications, permits, documentation and applicable legal requirements before any possible supply discussion.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

(E)-N-(3-(3-Cyano-6-(3-(3-(N-ethylacetamido)phenyl)-3-oxoprop-1-en-1-yl)pyrazolo(1,5-a)pyrimidin-7-yl)phenyl)-N-ethylacetamide
CAS Number940951-61-1
PubChem CID11627769
IUPAC NameN-[3-[6-[(E)-3-[3-[acetyl(ethyl)amino]phenyl]-3-oxoprop-1-enyl]-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-ethylacetamide
Molecular FormulaC30H28N6O3
Molecular Weight520.6
XLogP2.5
Topological Polar Surface Area112
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity975
SMILES
CCN(C1=CC=CC(=C1)C2=C(C=NC3=C(C=NN23)C#N)/C=C/C(=O)C4=CC(=CC=C4)N(CC)C(=O)C)C(=O)C
InChI
InChI=1S/C30H28N6O3/c1-5-34(20(3)37)26-11-7-9-22(15-26)28(39)14-13-24-18-32-30-25(17-31)19-33-36(30)29(24)23-10-8-12-27(16-23)35(6-2)21(4)38/h7-16,18-19H,5-6H2,1-4H3/b14-13+
InChIKey
GYJHURKJXXSKIK-BUHFOSPRSA-N
Chemical Structure
2D Structure
2D structure of (E)-N-(3-(3-Cyano-6-(3-(3-(N-ethylacetamido)phenyl)-3-oxoprop-1-en-1-yl)pyrazolo(1,5-a)pyrimidin-7-yl)phenyl)-N-ethylacetamide
CAS: 940951-61-1
CID: 11627769
Formula: C30H28N6O3
MW: 520.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.6
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass520.22228878
Monoisotopic Mass520.22228878
Topological Polar Surface Area112 Ų
Heavy Atom Count39
Formal Charge0
Complexity975
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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