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Compound PDK0372

CAT: 0931-PDK0372-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-PDK0372-02Size:200 mg
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CAS Number
83949-32-0
Bioactivity
Compound PDK0372, with CAS No. 83949-32-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0372 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
CC1=CC=C(C=C1)S(O)(=O)=O.OC(=O)C1(CCNCC1)C1=CC=CC=C1
Molecular Formula
C19H23NO5S
Molecular Weight
377.455
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Phenylpiperidine-4-carboxylic acid, compound with toluene-p-sulphonic acid
CAS Number83949-32-0
PubChem CID19259
IUPAC Name4-phenylpiperidine-4-carboxylic acid
Molecular FormulaC12H15NO2
Molecular Weight205.25
XLogP-1
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity228
SMILES
C1CNCCC1(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H15NO2/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)
InChIKey
DZZGGKPKWGPNJA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Phenylpiperidine-4-carboxylic acid, compound with toluene-p-sulphonic acid
CAS: 83949-32-0
CID: 19259
Formula: C12H15NO2
MW: 205.25
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.25
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass205.110278721
Monoisotopic Mass205.110278721
Topological Polar Surface Area49.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity228
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
PDK0272-01Compound PDK0272
PDK0352-01Compound PDK0352
PDK0374-01Compound PDK0374
PDK0332-01Compound PDK0332
PDK0392-01Compound PDK0392
PDK0342-01Compound PDK0342
PDK0371-01Compound PDK0371
PDK0382-01Compound PDK0382
PDK0322-01Compound PDK0322
PDK0362-01Compound PDK0362

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