Products for Research Use Only

Ono 1301

CAT: 0127-BUP23817-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP23817-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
176391-41-6
Synonyms
Ono-1301, Ono1301
MDL Number
MFCD00936504
Purity
≥95%
Smiles
C (CO/N=C (C1=CC=CC=C1) /C=2C=CC=NC2) C=3C=4C (=C (OCC (O) =O) C=CC4) CCC3

Chemical Information

Ono 1301

a non-prostanoid prostaglandin I2 mimetic coumpound with inhibitory activity against thromboxane A2 synthase; structure given in first source

CAS Number176391-41-6
PubChem CID6536812
IUPAC Name2-[[5-[2-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]oxyethyl]-7,8-dihydronaphthalen-1-yl]oxy]acetic acid
Molecular FormulaC26H24N2O4
Molecular Weight428.5
XLogP4.9
Topological Polar Surface Area81
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity671
SMILES
C1CC2=C(C=CC=C2OCC(=O)O)C(=C1)CCO/N=C(\C3=CC=CC=C3)/C4=CN=CC=C4
InChI
InChI=1S/C26H24N2O4/c29-25(30)18-31-24-13-5-11-22-19(9-4-12-23(22)24)14-16-32-28-26(20-7-2-1-3-8-20)21-10-6-15-27-17-21/h1-3,5-11,13,15,17H,4,12,14,16,18H2,(H,29,30)/b28-26+
InChIKey
WBBLIRPKRKYMTD-BYCLXTJYSA-N
Chemical Structure
2D Structure
2D structure of Ono 1301
CAS: 176391-41-6
CID: 6536812
Formula: C26H24N2O4
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass428.17360725
Monoisotopic Mass428.17360725
Topological Polar Surface Area81 Ų
Heavy Atom Count32
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes