3-Ferrocenylpropionic anhydride

CAT: 0804-HY-W698250Size: 1 EachDry Ice: NoHazardous: No

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Description

3-Ferrocenylpropionic anhydride is an important organic compound with good biological activity. 3-Ferrocenylpropionic anhydride is widely used in compound synthesis and can be used as a synthetic intermediate to participate in the production of a variety of biologically active compounds. 3-Ferrocenylpropionic anhydride exhibits potential anti-tumor properties by regulating specific enzyme activities.

CAS Number

132098-76-1

UNSPSC

12352300

Hazard Statement

H302-H315-H319-H335

Target

Biochemical Assay Reagents; Endogenous Metabolite

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease; Others

Applications

Metabolism-protein/nucleotide metabolism

Assay Protocol

https://www.medchemexpress.com/3-ferrocenylpropionic-anhydride.html

Smiles

[][Fe][].O=C(OC(CCc1cccc1)=O)CCc2cccc2.[][Fe][].c3cccc3.c4cccc4

Molecular Formula

C26H26Fe2O3

Molecular Weight

498.17

Precautions

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Iron(2+) cyclopenta-2,4-dien-1-ide 1,1'-[oxybis(3-oxopropane-3,1-diyl)]di(cyclopenta-2,4-dien-1-ide) (2/2/1)

CAS Number	132098-76-1
PubChem CID	71312507
IUPAC Name	bis(cyclopenta-1,3-diene);3-cyclopenta-1,4-dien-1-ylpropanoyl 3-cyclopenta-1,4-dien-1-ylpropanoate;bis(iron(2+))
Molecular Formula	C26H26Fe2O3
Molecular Weight	498.2
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	31
Formal Charge	0
Complexity	281

SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC(=C1)CCC(=O)OC(=O)CCC2=C[CH-]C=C2.[Fe+2].[Fe+2]

InChI

InChI=1S/C16H16O3.2C5H5.2Fe/c17-15(11-9-13-5-1-2-6-13)19-16(18)12-10-14-7-3-4-8-14;2*1-2-4-5-3-1;;/h1-8H,9-12H2;2*1-5H;;/q-2;2*-1;2*+2

InChIKey

HVXHXJDGQBAYEB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 132098-76-1

CID: 71312507

Formula: C26H26Fe2O3

MW: 498.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	498.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	498.058066
Monoisotopic Mass	498.058066
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	281
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	5
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
T201192-01	3-Ferrocenylpropionic anhydride
15025222-25g	2,3-Pyridinedicarboxylic anhydride (Quinolinic anhydride)
FH142877-01	3-Hydroxyphthalic anhydride
426450-01	3-Methylhexahydrophthalic Anhydride
426155-01	3-Isobutylglutaric Anhydride
288402-01	3-Pyridinecarboxylic Anhydride
GK0653-10g	3-Nitrophthalic anhydride
abx181122-01	3-Methylphthalic anhydride
OR1033806-01	3-Phenylpropanoic anhydride
sc-471102	3-Bromoisatoic anhydride

3-Ferrocenylpropionic anhydride

Chemical Information

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