Tesaglitazar

C20H24O7S — CID 208901

IUPAC(2S)-2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]propanoic acid
SMILESCCO[C@@H](CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O
InChIInChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1
InChIKeyCXGTZJYQWSUFET-IBGZPJMESA-N
MW408.50 g/mol
LogP3.50
Rot. Bonds11

About Tesaglitazar

Tesaglitazar (PubChem CID 208901) has the molecular formula C20H24O7S and a molecular weight of 408.50 g/mol. Its IUPAC name is (2S)-2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound NameTesaglitazar
PubChem CID208901
Molecular FormulaC20H24O7S
Molecular Weight408.50 g/mol
Exact Mass408.12
IUPAC Name(2S)-2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]propanoic acid
SMILESCCO[C@@H](CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O
InChIInChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1
InChIKeyCXGTZJYQWSUFET-IBGZPJMESA-N
XLogP3.50
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity556

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

Naveglitazar
CID 9888484
LT175
CID 11483970
3-(4-Benzyloxyphenyl)propionic acid
CID 561372
(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid
CID 11149906
2-(4-Biphenylyloxy)propionic acid
CID 101181
alpha-Hydroxy-4-methoxybenzenepropanoic acid
CID 14868260
3-[4-(2-Ethylbutoxy)phenyl]-3-phenylpropanoic acid
CID 16738034
3-[4-(2-Methylbutoxy)phenyl]-3-phenylpropanoic acid
CID 16747701
8-(Biphenyl-4-yloxy)-2-oxo-octanoic acid
CID 44341224
(2r)-3-Phenyl-2-{[2'-(Propan-2-Yl)biphenyl-4-Yl]oxy}propanoic Acid
CID 70680569
(S)-3-[4-((E)-3-Biphenyl-4-yl-3-phenyl-allyloxy)-phenyl]-2-ethoxy-propionic acid
CID 44320978
(S)-2-Ethoxy-3-{4-[(Z)-3-(4-fluoro-phenyl)-3-phenyl-allyloxy]-phenyl}-propionic acid
CID 44321201

Frequently Asked Questions

What is the IUPAC name of Tesaglitazar?
The IUPAC name of Tesaglitazar (CID 208901) is (2S)-2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]propanoic acid.
What is the SMILES notation for Tesaglitazar?
The canonical SMILES for Tesaglitazar is CCO[C@@H](CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O.
What is the InChIKey of Tesaglitazar?
The InChIKey is CXGTZJYQWSUFET-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1.
What are the key properties of Tesaglitazar?
Tesaglitazar has a molecular weight of 408.50 g/mol, XLogP of 3.50, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Tesaglitazar is sourced from PubChem (CID 208901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).