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PI 201

CAT: 0931-T125867-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T125867-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
143605-56-5
Target
Others
Related Pathways
Others
Bioactivity
PI 201 is a useful organic compound for research related to life sciences. The catalog number is T125867 and the CAS number is 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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

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