Products for Research Use Only

PI 201

CAT: 0013-GTR19228081-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228081-01Size:1 mg
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Description
PI 201 (CAS 143605-56-5) is a research chemical employed in life science studies. It serves as a tool compound in biochemical research, with applications in both in vitro enzymatic assays and in vivo model systems for investigating cellular signaling pathways.
CAS Number
143605-56-5
Smiles
[H][C@@]12CCCC[C@]1 ([H]) [C@] (C) ([C@H] (C[C@H] (O) CC) C (C) =C2) C (O) =O
Molecular Formula
C17H28O3
Molecular Weight
280.408
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PI 201

(1R,2R,4As,8aS)-2-[(2R)-2-hydroxybutyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid is a secondary alcohol.

CAS Number143605-56-5
PubChem CID9795706
IUPAC Name(1R,2R,4aS,8aS)-2-[(2R)-2-hydroxybutyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Molecular FormulaC17H28O3
Molecular Weight280.4
XLogP3.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity401
SMILES
CC[C@H](C[C@@H]1C(=C[C@@H]2CCCC[C@@H]2[C@@]1(C)C(=O)O)C)O
InChI
InChI=1S/C17H28O3/c1-4-13(18)10-15-11(2)9-12-7-5-6-8-14(12)17(15,3)16(19)20/h9,12-15,18H,4-8,10H2,1-3H3,(H,19,20)/t12-,13+,14-,15+,17+/m0/s1
InChIKey
HIVVBTLNCFFLPO-LVNYTYFRSA-N
Chemical Structure
2D Structure
2D structure of PI 201
CAS: 143605-56-5
CID: 9795706
Formula: C17H28O3
MW: 280.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight280.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass280.20384475
Monoisotopic Mass280.20384475
Topological Polar Surface Area57.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity401
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes