Vonafexor (EYP001)

CAT: 0957-S0874-5mgSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0957-S0874-5mgSize:5 mg

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

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CAS Number

1192171-69-9

Synonyms

PLX007

Target

FXR

Applications

Metabolism

Smiles

C1CN (CCN1C2=C (C3=C (C=C2) OC (=C3) C (=O) O) Cl) S (=O) (=O) C4=C (C=CC=C4Cl) Cl

Molecular Formula

C19H15Cl3N2O5S

Additionnal Information

Vonafexor (EYP001, PLX007) is a novel non-bile acid, selective, second generation farnesoid X receptor (FXR) agonist.

Storage Conditions

3 years -20°C powder

Chemical Information

Vonafexor

CAS Number	1192171-69-9
PubChem CID	67202717
IUPAC Name	4-chloro-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid
Molecular Formula	C19H15Cl3N2O5S
Molecular Weight	489.8
XLogP	4.8
Topological Polar Surface Area	99.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	733

SMILES

C1CN(CCN1C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Cl)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C19H15Cl3N2O5S/c20-12-2-1-3-13(21)18(12)30(27,28)24-8-6-23(7-9-24)14-4-5-15-11(17(14)22)10-16(29-15)19(25)26/h1-5,10H,6-9H2,(H,25,26)

InChIKey

XLGQSYUNOIJBNR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1192171-69-9

CID: 67202717

Formula: C19H15Cl3N2O5S

MW: 489.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	489.8
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	487.976726
Monoisotopic Mass	487.976726
Topological Polar Surface Area	99.4 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	733
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

Catalog	Name
C07371	Vonafexor (EYP001)
MBS5759265	Vonafexor