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TP-238 hydrochloride 10mg

CAT: 0628-A24419-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A24419-10Size:10 mg
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CAS Number
2415263-05-5

Chemical Information

TP-238 (hydrochloride)
CAS Number2415263-05-5
PubChem CID146018950
IUPAC Name6-[4-[3-(dimethylamino)propoxy]phenyl]-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine;hydrochloride
Molecular FormulaC22H31ClN6O3S
Molecular Weight495.0
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count33
Formal Charge0
Complexity636
SMILES
CN(C)CCCOC1=CC=C(C=C1)C2=CC(=NC(=N2)S(=O)(=O)C)NCCCN3C=CC=N3.Cl
InChI
InChI=1S/C22H30N6O3S.ClH/c1-27(2)13-6-16-31-19-9-7-18(8-10-19)20-17-21(26-22(25-20)32(3,29)30)23-11-4-14-28-15-5-12-24-28;/h5,7-10,12,15,17H,4,6,11,13-14,16H2,1-3H3,(H,23,25,26);1H
InChIKey
FHVADRKEPFRFFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TP-238 (hydrochloride)
CAS: 2415263-05-5
CID: 146018950
Formula: C22H31ClN6O3S
MW: 495.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass494.1866877
Monoisotopic Mass494.1866877
Topological Polar Surface Area111 Ų
Heavy Atom Count33
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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