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3',3'',5',5''-Tetraiodophenolphthalein - >95.0%(HPLC)(T), high purity , CAS No.386-17-4

COA COA
    Grade & Purity:
  • ≥95%(HPLC)(T)
In stock
Item Number
T162316
Grouped product items
SKU Size
Availability
 Price Qty
T162316-1g
1g
9
$27.90
T162316-5g
5g
1
$107.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Synonyms IODOPHTHALEIN SODIUM FREE ACID [MI] | 4-18-00-01949 (Beilstein Handbook Reference) | Q19286247 | Jodphthaleinum | 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-3,5-diiodophenyl)- | NSC4904 | NSC-4904 | Tetraiodophenolphthalein | 3,3-bis(4-hydroxy-3,5-diiodoph
Specifications & Purity ≥95%(HPLC)(T)
Storage Temp Argon charged
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Benzofurans
Subclass Benzofuranones
Intermediate Tree Nodes Not available
Direct Parent Benzofuranones
Alternative Parents Phthalides  O-iodophenols  Iodobenzenes  Aryl iodides  Lactones  Carboxylic acid esters  Oxacyclic compounds  Monocarboxylic acids and derivatives  Organooxygen compounds  Organoiodides  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Benzofuranone - Isobenzofuranone - Phthalide - Isocoumaran - 2-halophenol - 2-iodophenol - Halobenzene - Iodobenzene - Phenol - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organoiodide - Organooxygen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone.
External Descriptors Not available

Associated Targets(Human)

VDR Tclin Vitamin D receptor (26531 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
POLK Tbio DNA polymerase kappa (8653 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BLM Tchem Bloom syndrome protein (4248 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

GCN5 Histone acetyltransferase GCN5 (89 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 488184021
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488184021
IUPAC Name 3,3-bis(4-hydroxy-3,5-diiodophenyl)-2-benzofuran-1-one
INCHI InChI=1S/C20H10I4O4/c21-13-5-9(6-14(22)17(13)25)20(10-7-15(23)18(26)16(24)8-10)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H
InChIKey FWQKRBDABCRWKV-UHFFFAOYSA-N
Smiles C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C(=C3)I)O)I)C4=CC(=C(C(=C4)I)O)I
Isomeric SMILES C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C(=C3)I)O)I)C4=CC(=C(C(=C4)I)O)I
RTECS SM8397000
PubChem CID 67846
Molecular Weight 821.91
Beilstein 18(3/4)1949
Reaxy-Rn 351654

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number Certificate Type Date Item
K22301349 Certificate of Analysis Sep 20, 2024 T162316
K22301357 Certificate of Analysis Sep 20, 2024 T162316
A2111135 Certificate of Analysis Oct 25, 2022 T162316
A2111134 Certificate of Analysis Oct 25, 2022 T162316
E2306736 Certificate of Analysis Oct 25, 2022 T162316

Chemical and Physical Properties

Sensitivity Hygroscopic
Molecular Weight 821.900 g/mol
XLogP3 6.200
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 821.676 Da
Monoisotopic Mass 821.676 Da
Topological Polar Surface Area 66.800 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 551.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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