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4-P-PDOT

CAT: 0013-GTR19153869-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153869-01Size:100 mg
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Description
4-P-PDOT is a slelctive MT2 melatonin receptor antagonist 300 fold selective for MT2 (MEL-1B-R) vs MT1 (MEL-1A-R) melatonin receptor subtype.
CAS Number
620170-78-7
Purity
>98%
Smiles
C1 ([C@H]2C3C (=CC=CC=3) C[C@@H] (NC (=O) CC) C2) C=CC=CC=1
Molecular Formula
C19NOH21
Molecular Weight
279.3762
Notes
For research use only.

Chemical Information

N-(4beta-Phenyl-1,2,3,4-tetrahydronaphthalene-2beta-yl)propanamide
CAS Number620170-78-7
PubChem CID24750357
IUPAC NameN-[(2S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
Molecular FormulaC19H21NO
Molecular Weight279.4
XLogP3.9
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity347
SMILES
CCC(=O)N[C@H]1C[C@H](C2=CC=CC=C2C1)C3=CC=CC=C3
InChI
InChI=1S/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)/t16-,18+/m1/s1
InChIKey
RCYLUNPFECYGDW-AEFFLSMTSA-N
Chemical Structure
2D Structure
2D structure of N-(4beta-Phenyl-1,2,3,4-tetrahydronaphthalene-2beta-yl)propanamide
CAS: 620170-78-7
CID: 24750357
Formula: C19H21NO
MW: 279.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight279.4
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass279.162314293
Monoisotopic Mass279.162314293
Topological Polar Surface Area29.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity347
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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