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L-749372

CAT: 0931-T24375-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T24375-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
159183-70-7
Target
Others, Adrenergic Receptor
Related Pathways
Others, Neuroscience, GPCR/G Protein
Bioactivity
L-749372 is the beta 3 adrenergic receptor 3-Pyridyloxypropanolamine agonist.
Smiles
N(S(=O)(=O)C1=CC=C(I)C=C1)C2=CC=C(CCNC[C@@H](COC=3C=CC=NC3)O)C=C2
Molecular Formula
C22H24IN3O4S
Molecular Weight
553.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

L-749372
CAS Number159183-70-7
PubChem CID10437614
IUPAC NameN-[4-[2-[[(2S)-2-hydroxy-3-pyridin-3-yloxypropyl]amino]ethyl]phenyl]-4-iodobenzenesulfonamide
Molecular FormulaC22H24IN3O4S
Molecular Weight553.4
XLogP2.9
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count31
Formal Charge0
Complexity602
SMILES
C1=CC(=CN=C1)OC[C@H](CNCCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)I)O
InChI
InChI=1S/C22H24IN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/m0/s1
InChIKey
JKCIKWIXDFDPQX-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of L-749372
CAS: 159183-70-7
CID: 10437614
Formula: C22H24IN3O4S
MW: 553.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight553.4
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass553.05323
Monoisotopic Mass553.05323
Topological Polar Surface Area109 Ų
Heavy Atom Count31
Formal Charge0
Complexity602
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