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Filibuvir

CAT: 0607-BA1874-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1874-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
877130-28-4
Form
A solid
Molecular Formula
C29H37N5O3
Molecular Weight
503.64
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Filibuvir

Filibuvir is a member of triazolopyrimidines.

CAS Number877130-28-4
PubChem CID54708673
IUPAC Name(2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one
Molecular FormulaC29H37N5O3
Molecular Weight503.6
XLogP5.6
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity833
SMILES
CCC1=CC(=CC(=N1)CC)CC[C@@]2(CC(=C(C(=O)O2)CC3=NN4C(=CC(=NC4=N3)C)C)O)C5CCCC5
InChI
InChI=1S/C29H37N5O3/c1-5-22-14-20(15-23(6-2)31-22)11-12-29(21-9-7-8-10-21)17-25(35)24(27(36)37-29)16-26-32-28-30-18(3)13-19(4)34(28)33-26/h13-15,21,35H,5-12,16-17H2,1-4H3/t29-/m1/s1
InChIKey
SLVAPEZTBDBAPI-GDLZYMKVSA-N
Chemical Structure
2D Structure
2D structure of Filibuvir
CAS: 877130-28-4
CID: 54708673
Formula: C29H37N5O3
MW: 503.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.6
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass503.28964006
Monoisotopic Mass503.28964006
Topological Polar Surface Area103 Ų
Heavy Atom Count37
Formal Charge0
Complexity833
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T15282-01Filibuvir
A21392-5Filibuvir 5mg
A21392-50Filibuvir 50mg
A21392-10Filibuvir 10mg
A21392-1Filibuvir 1mg

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