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MEHP

CAT: 1568-C02262-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C02262-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4376-20-9
Synonyms
Phthalic acid mono-2-ethylexyl ester
SKU
C02262-25mg
Target
P450 (e.g. CYP17)
Applications
Metabolism
Additionnal Information
MEHP (Phthalic acid mono-2-ethylexyl ester) is a competitive inhibitor of CYP2C9 with IC50 of 6.37 μM.
Storage Conditions
2 years -20°C liquid

Chemical Information

Mono(2-ethylhexyl) phthalate

Mono(2-ethylhexyl) phthalate is the mono(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid. It is functionally related to a 2-ethylhexan-1-ol. It is a conjugate acid of a mono(2-ethylhexyl) phthalate(1-).

CAS Number4376-20-9
PubChem CID20393
IUPAC Name2-(2-ethylhexoxycarbonyl)benzoic acid
Molecular FormulaC16H22O4
Molecular Weight278.34
XLogP4
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count20
Formal Charge0
Complexity314
SMILES
CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O
InChI
InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)
InChIKey
DJDSLBVSSOQSLW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mono(2-ethylhexyl) phthalate
CAS: 4376-20-9
CID: 20393
Formula: C16H22O4
MW: 278.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.34
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass278.15180918
Monoisotopic Mass278.15180918
Topological Polar Surface Area63.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity314
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

Alternative Products

CatalogName
E2912-01MEHP
RG-A260744-01Phthalic Acid Mono (2-Ethylhexyl) Ester (Mehp)

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