Products for Research Use Only
RegisterLogin

Evatanepag

CAT: 0127-BUP04365-03Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP04365-03Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
223488-57-1
Synonyms
CP-533536 free acid
Purity
=95%
Smiles
CC(C)(C)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)S(=O)(=O)c2cccnc2)cc1

Chemical Information

Evatanepag

Evatanepag is a monocarboxylic acid.

CAS Number223488-57-1
PubChem CID9890801
IUPAC Name2-[3-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid
Molecular FormulaC25H28N2O5S
Molecular Weight468.6
XLogP4.2
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity722
SMILES
CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)OCC(=O)O)S(=O)(=O)C3=CN=CC=C3
InChI
InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)
InChIKey
WOHRHWDYFNWPNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Evatanepag
CAS: 223488-57-1
CID: 9890801
Formula: C25H28N2O5S
MW: 468.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.6
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass468.17189317
Monoisotopic Mass468.17189317
Topological Polar Surface Area105 Ų
Heavy Atom Count33
Formal Charge0
Complexity722
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

Alternative Products

CatalogName
BA5708-5.1Evatanepag
HY-14839AEvatanepag (sodium)
A21129-100Evatanepag 100mg
MBS5812300Evatanepag sodium
A21129-10Evatanepag 10mg
A21129-5Evatanepag 5mg
A21129-1Evatanepag 1mg
MBS131468Evatanepag? CP533536

Popular Products