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BBDHQ

CAT: 0931-T26750-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26750-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1458219-02-7
Target
Others
Related Pathways
Others
Bioactivity
BBDHQ is a selective inhibitor of MAO-B.
Smiles
O(CC1=CC(Br)=CC=C1)C=2C=C3C(=CC2)CCC(=O)N3
Molecular Formula
C16H14BrNO2
Molecular Weight
332.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bbdhq
CAS Number1458219-02-7
PubChem CID72191364
IUPAC Name7-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
Molecular FormulaC16H14BrNO2
Molecular Weight332.19
XLogP3.2
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity349
SMILES
C1CC(=O)NC2=C1C=CC(=C2)OCC3=CC(=CC=C3)Br
InChI
InChI=1S/C16H14BrNO2/c17-13-3-1-2-11(8-13)10-20-14-6-4-12-5-7-16(19)18-15(12)9-14/h1-4,6,8-9H,5,7,10H2,(H,18,19)
InChIKey
MHQJPPPGGALWQB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bbdhq
CAS: 1458219-02-7
CID: 72191364
Formula: C16H14BrNO2
MW: 332.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.19
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass331.02079
Monoisotopic Mass331.02079
Topological Polar Surface Area38.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity349
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

Alternative Products

CatalogName
MBS5776477BBDHQ

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