Sobetirome 5mg

CAT: 0628-A15241-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A15241-5Size:5 mg

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

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CAS Number

211110-63-3

Chemical Information

Sobetirome

Sobetirome is a diarylmethane.

CAS Number	211110-63-3
PubChem CID	9862248
IUPAC Name	2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetic acid
Molecular Formula	C20H24O4
Molecular Weight	328.4
XLogP	4.9
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	396

SMILES

CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OCC(=O)O

InChI

InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)

InChIKey

QNAZTOHXCZPOSA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 211110-63-3

CID: 9862248

Formula: C20H24O4

MW: 328.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	328.4
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	328.16745924
Monoisotopic Mass	328.16745924
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	396
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