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QF0301B

CAT: 0931-T10100-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T10100-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
149247-12-1
Target
5-HT Receptor, Adrenergic Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
>99.99%
Bioactivity
QF0301B is a potent α1-adrenergic receptor antagonist with inhibitory effects on α2-adrenergic receptors, 5-HT2A and histamine H1 receptors.
Smiles
O=C1C=2C=CC=CC2CCC1CCN3CCN(C=4C=CC=CC4OC)CC3
Molecular Formula
C23H28N2O2
Molecular Weight
364.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
CAS Number149247-12-1
PubChem CID10044334
IUPAC Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
Molecular FormulaC23H28N2O2
Molecular Weight364.5
XLogP4
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity489
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC3CCC4=CC=CC=C4C3=O
InChI
InChI=1S/C23H28N2O2/c1-27-22-9-5-4-8-21(22)25-16-14-24(15-17-25)13-12-19-11-10-18-6-2-3-7-20(18)23(19)26/h2-9,19H,10-17H2,1H3
InChIKey
PJOARVZMKMVACL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
CAS: 149247-12-1
CID: 10044334
Formula: C23H28N2O2
MW: 364.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight364.5
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass364.215078140
Monoisotopic Mass364.215078140
Topological Polar Surface Area32.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity489
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes