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ON1231320

CAT: 0607-BA2794-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2794-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1312471-39-8
Form
A solid
Molecular Formula
C22H15F2N5O3S
Molecular Weight
467.45
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

2-((1H-indol-5-yl)amino)-6-((2,4-difluorophenyl)sulfonyl)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CAS Number1312471-39-8
PubChem CID67240318
IUPAC Name6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC22H15F2N5O3S
Molecular Weight467.4
XLogP3.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity897
SMILES
CN1C2=NC(=NC=C2C=C(C1=O)S(=O)(=O)C3=C(C=C(C=C3)F)F)NC4=CC5=C(C=C4)NC=C5
InChI
InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
InChIKey
ZEHBZHZMQSHZFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((1H-indol-5-yl)amino)-6-((2,4-difluorophenyl)sulfonyl)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CAS: 1312471-39-8
CID: 67240318
Formula: C22H15F2N5O3S
MW: 467.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.4
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass467.08636686
Monoisotopic Mass467.08636686
Topological Polar Surface Area116 Ų
Heavy Atom Count33
Formal Charge0
Complexity897
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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