Piperlonguminine

CAT: 0127-BUP03077-04Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP03077-04Size:50 mg

Selected

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

Quick Request Actions

CAS Number

5950-12-9

Purity

=98%

Smiles

CC(C)CNC(=O)\C=C\C=C\c1ccc2OCOc2c1

Chemical Information

Piperlonguminine

(E,E)-Piperlonguminine is a member of benzodioxoles.

CAS Number	5950-12-9
PubChem CID	5320621
IUPAC Name	(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienamide
Molecular Formula	C16H19NO3
Molecular Weight	273.33
XLogP	3.8
Topological Polar Surface Area	47.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	20
Formal Charge	0
Complexity	376

SMILES

CC(C)CNC(=O)/C=C/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H19NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h3-9,12H,10-11H2,1-2H3,(H,17,18)/b5-3+,6-4+

InChIKey

WHAAPCGHVWVUEX-GGWOSOGESA-N

Chemical Structure

2D Structure

CAS: 5950-12-9

CID: 5320621

Formula: C16H19NO3

MW: 273.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.33
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	273.13649347
Monoisotopic Mass	273.13649347
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	376
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BIDF1035-01	Piperlongumine
BUP11196-01	Piperlongumine

Catalog	Name
FB145506-01	Piperlonguminine
HY-126562R	Piperlonguminine (Standard)