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SR 202

CAT: 0607-B6929-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6929-10Size:10 mg
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Description
PPAR antagonist
CAS Number
76541-72-5
Product Name Alternative
(S)-(4-chlorophenyl)(dimethoxyphosphoryl)methyl dimethyl phosphate
Field of Research
Metabolism PPAR
Purity
0.9964
Form
White solid
Solubility
≥50.8 mg/mL in DMSO; ≥50.4 mg/mL in EtOH; ≥51.1 mg/mL in H2O
Smiles
ClC1=CC=C(C=C1)[C@@H](OP(OC)(OC)=O)P(OC)(OC)=O
Molecular Formula
C11H17ClO7P2
Molecular Weight
358.65
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

Mifobate

Phosphoric acid [(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl ester is a trialkyl phosphate.

CAS Number76541-72-5
PubChem CID60910
IUPAC Name[(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate
Molecular FormulaC11H17ClO7P2
Molecular Weight358.65
XLogP1
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count21
Formal Charge0
Complexity395
SMILES
COP(=O)(C(C1=CC=C(C=C1)Cl)OP(=O)(OC)OC)OC
InChI
InChI=1S/C11H17ClO7P2/c1-15-20(13,16-2)11(19-21(14,17-3)18-4)9-5-7-10(12)8-6-9/h5-8,11H,1-4H3
InChIKey
VQHUQHAPWMNBLP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mifobate
CAS: 76541-72-5
CID: 60910
Formula: C11H17ClO7P2
MW: 358.65
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight358.65
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass358.0138046
Monoisotopic Mass358.0138046
Topological Polar Surface Area80.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity395
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes