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Biofor 389

CAT: 0931-T26820-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T26820-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
127245-22-1
Target
Others, Lipoxygenase, COX
Related Pathways
Immunology/Inflammation, Neuroscience, Others, Metabolism
Purity
0.9997
Bioactivity
Biofor 389 (BF389) has anti-inflammatory activity and can be used to study arthritis.
Smiles
O=C1C(=CC=2C=C(C(O)=C(C2)C(C)(C)C)C(C)(C)C)CCON1C
Molecular Formula
C20H29NO3
Molecular Weight
331.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BF-389
CAS Number127245-22-1
PubChem CID6439259
IUPAC Name(4E)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-methyloxazinan-3-one
Molecular FormulaC20H29NO3
Molecular Weight331.4
XLogP4.9
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity474
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/2\CCON(C2=O)C
InChI
InChI=1S/C20H29NO3/c1-19(2,3)15-11-13(12-16(17(15)22)20(4,5)6)10-14-8-9-24-21(7)18(14)23/h10-12,22H,8-9H2,1-7H3/b14-10+
InChIKey
BWRYNNCGEDOTRW-GXDHUFHOSA-N
Chemical Structure
2D Structure
2D structure of BF-389
CAS: 127245-22-1
CID: 6439259
Formula: C20H29NO3
MW: 331.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.4
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass331.21474379
Monoisotopic Mass331.21474379
Topological Polar Surface Area49.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5776547Biofor 389

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