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76541-72-5 molecular structure
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dimethyl [(4-chlorophenyl)[(dimethoxyphosphoryl)oxy]methyl]phosphonate

ChemBase ID: 154536
Molecular Formular: C11H17ClO7P2
Molecular Mass: 358.649002
Monoisotopic Mass: 358.01380382
SMILES and InChIs

SMILES:
COP(=O)(C(c1ccc(cc1)Cl)OP(=O)(OC)OC)OC
Canonical SMILES:
COP(=O)(C(c1ccc(cc1)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

Cite this record

CBID:154536 http://www.chembase.cn/molecule-154536.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl [(4-chlorophenyl)[(dimethoxyphosphoryl)oxy]methyl]phosphonate
IUPAC Traditional name
mifobate
Synonyms
Dimethyl (α-dimethoxyphosphinyl-p-chlorobenzyl) phosphate
Mifobate
SR-202
CAS Number
76541-72-5
MDL Number
MFCD00864813
PubChem SID
162248675
24724601
PubChem CID
60910

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
S1320 external link Add to cart Please log in.
Data Source Data ID
PubChem 60910 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7820082  LogD (pH = 7.4) 2.7820082 
Log P 2.7820082  Molar Refractivity 76.8922 cm3
Polarizability 31.724882 Å3 Polar Surface Area 80.29 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO: soluble5 mg/mL expand Show data source
H2O: insoluble expand Show data source
Apperance
white crystalline expand Show data source
Storage Condition
desiccated expand Show data source
RTECS
TB8817000 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥98% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C11H17ClO7P2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - S1320 external link
Biochem/physiol Actions
SR-202 is a selective PPARγ antagonist. Improves insulin sensitivity in diabetic mice.
Packaging
Product is air sensitive

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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