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15-PGDH-IN-1

CAT: 0607-BA7085-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7085-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2241676-74-2
Form
A solid
Molecular Formula
C24H22N4O2
Molecular Weight
398.46
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

15-Pgdh-IN-1
CAS Number2241676-74-2
PubChem CID135300446
IUPAC Name2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1-one
Molecular FormulaC24H22N4O2
Molecular Weight398.5
XLogP2.8
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity689
SMILES
CN1C=CC2=C(C1=O)C=CC(=C2)C3=CN=C4C=CC(=CC4=N3)C(=O)N5CCCCC5
InChI
InChI=1S/C24H22N4O2/c1-27-12-9-16-13-17(5-7-19(16)24(27)30)22-15-25-20-8-6-18(14-21(20)26-22)23(29)28-10-3-2-4-11-28/h5-9,12-15H,2-4,10-11H2,1H3
InChIKey
URHPFANOQLIROT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 15-Pgdh-IN-1
CAS: 2241676-74-2
CID: 135300446
Formula: C24H22N4O2
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass398.17427596
Monoisotopic Mass398.17427596
Topological Polar Surface Area66.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity689
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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