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Butyl isobutyl phthalate

CAT: 1410-M21572-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M21572-01Size:10 mg
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Description
Butyl isobutyl phthalate is a non-competitive α-glucosidase inhibitor (IC50 :38 μM) it shows a hypoglycemic effect.
CAS Number
17851-53-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
278.34
Molecular Formula
C16H22O4
Notes
Research use only, not for human use.
Receptor
Α-glucosidase

Chemical Information

Butyl isobutyl phthalate

Butyl isobutyl phthalate has been reported in Cryptotaenia canadensis, Houttuynia cordata, and Perilla frutescens var. hirtella with data available.

CAS Number17851-53-5
PubChem CID28813
IUPAC Name1-O-butyl 2-O-(2-methylpropyl) benzene-1,2-dicarboxylate
Molecular FormulaC16H22O4
Molecular Weight278.34
XLogP4.8
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count20
Formal Charge0
Complexity312
SMILES
CCCCOC(=O)C1=CC=CC=C1C(=O)OCC(C)C
InChI
InChI=1S/C16H22O4/c1-4-5-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKey
UVIVWIFUPKGWGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butyl isobutyl phthalate
CAS: 17851-53-5
CID: 28813
Formula: C16H22O4
MW: 278.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.34
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass278.15180918
Monoisotopic Mass278.15180918
Topological Polar Surface Area52.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity312
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

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