Products for Research Use Only
RegisterLogin

JZL184

CAT: 0024-sc-224031BSize: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-224031BSize:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1101854-58-3

Chemical Information

Jzl184

4-[bis(1,3-benzodioxol-5-yl)-hydroxymethyl]-1-piperidinecarboxylic acid (4-nitrophenyl) ester is a member of benzodioxoles.

CAS Number1101854-58-3
PubChem CID25021165
IUPAC Name(4-nitrophenyl) 4-[bis(1,3-benzodioxol-5-yl)-hydroxymethyl]piperidine-1-carboxylate
Molecular FormulaC27H24N2O9
Molecular Weight520.5
XLogP4.2
Topological Polar Surface Area133
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count38
Formal Charge0
Complexity820
SMILES
C1CN(CCC1C(C2=CC3=C(C=C2)OCO3)(C4=CC5=C(C=C4)OCO5)O)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-]
InChI
InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
InChIKey
SEGYOKHGGFKMCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jzl184
CAS: 1101854-58-3
CID: 25021165
Formula: C27H24N2O9
MW: 520.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass520.14818035
Monoisotopic Mass520.14818035
Topological Polar Surface Area133 Ų
Heavy Atom Count38
Formal Charge0
Complexity820
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
B1958-50JZL184
A12747-10JZL184 10mg
A12747-5JZL184 5mg
A12747-25JZL184 25mg
A12747-200JZL184 200mg
A12747-100JZL184 100mg
A12747-50JZL184 50mg
J211980JZL184 (with 15% inorganics)
A12747-10mM-DJZL184 10mM * 1mL in DMSO

Popular Products