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FRAX486 50mg

CAT: 0628-A13691-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A13691-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1232030-35-1

Chemical Information

Frax486
CAS Number1232030-35-1
PubChem CID68060125
IUPAC Name6-(2,4-dichlorophenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC25H23Cl2FN6O
Molecular Weight513.4
XLogP4.8
Topological Polar Surface Area73.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity783
SMILES
CCN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=C(C=C3)Cl)Cl)NC4=CC(=C(C=C4)N5CCNCC5)F
InChI
InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32)
InChIKey
DHKFOIHIUYFSOF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Frax486
CAS: 1232030-35-1
CID: 68060125
Formula: C25H23Cl2FN6O
MW: 513.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight513.4
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass512.1294429
Monoisotopic Mass512.1294429
Topological Polar Surface Area73.4 Ų
Heavy Atom Count35
Formal Charge0
Complexity783
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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