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Compound PDK0085

CAT: 0931-PDK0085-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-PDK0085-02Size:200 mg
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CAS Number
1588-89-2
Bioactivity
Compound PDK0085, with CAS No. 1588-89-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0085 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
c1ccc(cc1)-c1nccnc1-c1ccccc1
Molecular Formula
C16H12N2
Molecular Weight
232.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,3-Diphenylpyrazine

2,3-diphenylpyrazine is a member of pyrazines.

CAS Number1588-89-2
PubChem CID243907
IUPAC Name2,3-diphenylpyrazine
Molecular FormulaC16H12N2
Molecular Weight232.28
XLogP3.1
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity215
SMILES
C1=CC=C(C=C1)C2=NC=CN=C2C3=CC=CC=C3
InChI
InChI=1S/C16H12N2/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-12H
InChIKey
PTZIVVDMBCVSMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Diphenylpyrazine
CAS: 1588-89-2
CID: 243907
Formula: C16H12N2
MW: 232.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.28
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass232.100048391
Monoisotopic Mass232.100048391
Topological Polar Surface Area25.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity215
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

Related Products

CatalogName
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PDK0086-01Compound PDK0086
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PDK0081-01Compound PDK0081
PDK0084-01Compound PDK0084
PDK0005-01Compound PDK0005
PDK0385-01Compound PDK0385
PDK0045-01Compound PDK0045
PDK0058-01Compound PDK0058

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HY-14176-01Compound E
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2573-5Compound 112254
MBS3613444-01Compound W
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MBS3613756-01Compound 23

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