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HM-50316

CAT: 0013-GTR19197528-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197528-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HM-50316
CAS Number
1310361-52-4
Field of Research
Metabolism Research
Smiles
ClC1=CC=C (N2C (=CC (=N2) C3=C (C=CC=C3) C4=CC (OC (C (O) =O) (C) C) =CC=C4) C5=CC=CS5) C=C1
Molecular Formula
C29H23ClN2O3S
Molecular Weight
515.02
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[3-[2-[1-(4-Chlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]phenyl]phenoxy]-2-methylpropanoic acid
CAS Number1310361-52-4
PubChem CID49872404
IUPAC Name2-[3-[2-[1-(4-chlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]phenyl]phenoxy]-2-methylpropanoic acid
Molecular FormulaC29H23ClN2O3S
Molecular Weight515.0
XLogP7.3
Topological Polar Surface Area92.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity746
SMILES
CC(C)(C(=O)O)OC1=CC=CC(=C1)C2=CC=CC=C2C3=NN(C(=C3)C4=CC=CS4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C29H23ClN2O3S/c1-29(2,28(33)34)35-22-8-5-7-19(17-22)23-9-3-4-10-24(23)25-18-26(27-11-6-16-36-27)32(31-25)21-14-12-20(30)13-15-21/h3-18H,1-2H3,(H,33,34)
InChIKey
HOACFVYJBHHSBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[3-[2-[1-(4-Chlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]phenyl]phenoxy]-2-methylpropanoic acid
CAS: 1310361-52-4
CID: 49872404
Formula: C29H23ClN2O3S
MW: 515.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight515.0
XLogP37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass514.1117915
Monoisotopic Mass514.1117915
Topological Polar Surface Area92.6 Ų
Heavy Atom Count36
Formal Charge0
Complexity746
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

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