6-(2-(2-Chlorophenyl-4-hydroxyphenyl)-1,3-dioxan-5-yl)hexenoic acid

Base Information

Chemical Name:6-(2-(2-Chlorophenyl-4-hydroxyphenyl)-1,3-dioxan-5-yl)hexenoic acid
CAS No.:117621-64-4
Molecular Formula:C₂₂H₂₃ClO₅
Molecular Weight:402.875
Hs Code.:
European Community (EC) Number:689-667-2
UNII:FQ9418XA31
DSSTox Substance ID:DTXSID801026087
Nikkaji Number:J259.942B
ChEMBL ID:CHEMBL4751326
Mol file:117621-64-4.mol

Synonyms:6-(2-(2-chlorophenyl-4-hydroxyphenyl)-1,3-dioxan-5-yl)hexenoic acid;ICI 192605;ICI-192605

Suppliers and Price of 6-(2-(2-Chlorophenyl-4-hydroxyphenyl)-1,3-dioxan-5-yl)hexenoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
ICI 192605
5mg
$ 65.00

Sigma-Aldrich
ICI 192605 ≥98% (HPLC)
25mg
$ 377.00

Sigma-Aldrich
ICI 192605 ≥98% (HPLC)
5mg
$ 95.90

Cayman Chemical
ICI 192605 ≥95%
5mg
$ 75.00

Cayman Chemical
ICI 192605 ≥95%
1mg
$ 25.00

Cayman Chemical
ICI 192605 ≥95%
10mg
$ 135.00

Cayman Chemical
ICI 192605 ≥95%
25mg
$ 300.00

American Custom Chemicals Corporation
ICI 192605 95.00%
50MG
$ 1138.78

American Custom Chemicals Corporation
ICI 192605 95.00%
10MG
$ 685.21

AK Scientific
6-(2-(2-Chlorophenyl-4-hydroxyphenyl)-1,3-dioxan-5-yl)hexenoicacid
25mg
$ 505.00

Total 10 raw suppliers

Chemical Property of 6-(2-(2-Chlorophenyl-4-hydroxyphenyl)-1,3-dioxan-5-yl)hexenoic acid

Chemical Property:

Vapor Pressure:1.7E-12mmHg at 25°C
Melting Point:124-126 °C
Refractive Index:1.583
Boiling Point:540.1 °C at 760 mmHg
PKA:4.59±0.10(Predicted)
Flash Point:280.4 °C
PSA：75.99000
Density:1.262 g/cm³
LogP:5.25960
Storage Temp.:Desiccate at -20°C
Solubility.:DMSO: ≥20mg/mL
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:402.1234015
Heavy Atom Count:28
Complexity:525

Purity/Quality:

99% ^*data from raw suppliers

ICI 192605 ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn,N
Hazard Codes:Xn,N
Statements: 22-50/53
Safety Statements: 60-61

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(C(OC(O1)C2=CC=CC=C2Cl)C3=CC=CC=C3O)CC=CCCC(=O)O
Isomeric SMILES:C1[C@@H]([C@@H](O[C@@H](O1)C2=CC=CC=C2Cl)C3=CC=CC=C3O)C/C=C\CCC(=O)O
Uses ICI 192,605 is a potent thromboxane A2 receptor antagonist.

Technology Process of 6-(2-(2-Chlorophenyl-4-hydroxyphenyl)-1,3-dioxan-5-yl)hexenoic acid

There total 15 articles about 6-(2-(2-Chlorophenyl-4-hydroxyphenyl)-1,3-dioxan-5-yl)hexenoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 65.0%