Pparδ agonist 2 50mg

CAT: 0628-A13262-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A13262-50Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

870884-12-1

Chemical Information

Ppardelta agonist 2

CAS Number	870884-12-1
PubChem CID	11539381
IUPAC Name	2-[2-methyl-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methylsulfanyl]phenoxy]acetic acid
Molecular Formula	C20H18F3N3O3S
Molecular Weight	437.4
XLogP	5.2
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	30
Formal Charge	0
Complexity	575

SMILES

CC1=C(C=CC(=C1)SCC2=NN(N=C2C)C3=CC=C(C=C3)C(F)(F)F)OCC(=O)O

InChI

InChI=1S/C20H18F3N3O3S/c1-12-9-16(7-8-18(12)29-10-19(27)28)30-11-17-13(2)24-26(25-17)15-5-3-14(4-6-15)20(21,22)23/h3-9H,10-11H2,1-2H3,(H,27,28)

InChIKey

XJHXZGHPCAKRFK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 870884-12-1

CID: 11539381

Formula: C20H18F3N3O3S

MW: 437.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	437.4
XLogP3	5.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	437.10209710
Monoisotopic Mass	437.10209710
Topological Polar Surface Area	103 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	575
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes