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2-Ethylhexyl diphenyl phosphate

CAT: 0013-GTR19250345-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250345-01Size:10 mg
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Description
This small molecule acts as a PPARG agonist and an ERRγ transcriptional inhibitor, modulating steroidogenic genes like 3β-HSD1 to influence hCG and progesterone levels. It is a relevant chemical tool for in vitro studies investigating endocrine disruption, female reproductive toxicology, and impacts on fetal development.
CAS Number
1241-94-7
Field of Research
Metabolism Research, Molecular Biology
Smiles
O=P (OC=1C=CC=CC1) (OC=2C=CC=CC2) OCC (CC) CCCC
Molecular Formula
C20H27O4P
Molecular Weight
362.40
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Ethylhexyl diphenyl phosphate

Octicizer is an aryl phosphate.

CAS Number1241-94-7
PubChem CID14716
IUPAC Name2-ethylhexyl diphenyl phosphate
Molecular FormulaC20H27O4P
Molecular Weight362.4
XLogP6.3
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count25
Formal Charge0
Complexity365
SMILES
CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
InChIKey
CGSLYBDCEGBZCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethylhexyl diphenyl phosphate
CAS: 1241-94-7
CID: 14716
Formula: C20H27O4P
MW: 362.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass362.16469634
Monoisotopic Mass362.16469634
Topological Polar Surface Area44.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity365
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

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