KSK94

CAT: 0127-BUP01274-01Size: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP01274-01Size:1 mg

Selected

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

Quick Request Actions

CAS Number

2566716-07-0

Purity

=98%

Smiles

N#CC=1C=CC(=CC1)C2=CC=C(OCCCN3CCN(C=4C=CN=CC4)CC3)C=C2

Chemical Information

4-[4-[3-(4-Pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]benzonitrile

CAS Number	2566716-07-0
PubChem CID	162645254
IUPAC Name	4-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]benzonitrile
Molecular Formula	C25H26N4O
Molecular Weight	398.5
XLogP	4.2
Topological Polar Surface Area	52.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	30
Formal Charge	0
Complexity	531

SMILES

C1CN(CCN1CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C4=CC=NC=C4

InChI

InChI=1S/C25H26N4O/c26-20-21-2-4-22(5-3-21)23-6-8-25(9-7-23)30-19-1-14-28-15-17-29(18-16-28)24-10-12-27-13-11-24/h2-13H,1,14-19H2

InChIKey

MROYQSNDBHFVIZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2566716-07-0

CID: 162645254

Formula: C25H26N4O

MW: 398.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	398.5
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	398.21066147
Monoisotopic Mass	398.21066147
Topological Polar Surface Area	52.4 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	531
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
GTR19219021-01	KSK94
T79500L-01	KSK94 FA