Name: Name:((4-(4-hydroxy-3-isopropylbenzyl)-3,5-dimethylphenoxy)methyl)phosphonic acid
Brand: Angene
SKU: AG01DFTZ
Rating: 90 (10 reviews)

((4-(4-hydroxy-3-isopropylbenzyl)-3,5-dimethylphenoxy)methyl)phosphonic acid

CAS No.:

852947-39-8

Catalog Number:

AG01DFTZ

Molecular Formula:

C19H25O5P

Molecular Weight:

364.3726

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Product Description

Catalog Number:

AG01DFTZ

Chemical Name:

((4-(4-hydroxy-3-isopropylbenzyl)-3,5-dimethylphenoxy)methyl)phosphonic acid

CAS Number:

852947-39-8

Molecular Formula:

C19H25O5P

Molecular Weight:

364.3726

MDL Number:

MFCD18827438

IUPAC Name:

[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methylphosphonic acid

InChI:

InChI=1S/C19H25O5P/c1-12(2)17-9-15(5-6-19(17)20)10-18-13(3)7-16(8-14(18)4)24-11-25(21,22)23/h5-9,12,20H,10-11H2,1-4H3,(H2,21,22,23)

InChI Key:

SVXLLCKJKRYATC-UHFFFAOYSA-N

SMILES:

Cc1cc(OCP(=O)(O)O)cc(c1Cc1ccc(c(c1)C(C)C)O)C

UNII:

R1ZW9H43ZJ

Properties

Complexity:

451

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

364.144g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

364.378g/mol

Monoisotopic Mass:

364.144g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Thyroid hormone beta receptor activation has additive cholesterol lowering activity in combination with atorvastatin in rabbits, dogs and monkeys.	British journal of pharmacology 20090201
Synthesis and biological evaluation of a series of liver-selective phosphonic acid thyroid hormone receptor agonists and their prodrugs.	Journal of medicinal chemistry 20081127