(1S,3R,4R,5R)-3,4-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylic acid

Base Information

Chemical Name:(1S,3R,4R,5R)-3,4-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
CAS No.:14534-61-3
Molecular Formula:C₂₅H₂₄O₁₂
Molecular Weight:516.458
Hs Code.:29189900
DSSTox Substance ID:DTXSID101025840,DTXSID901106525
Mol file:14534-61-3.mol

Synonyms:3,4-di-O-caffeoylquinic acid;3,4-dicaffeoylquinic acid;3,4-DICQA;isochlorogenic acid B;methyl 3,5-di-O-caffeoyl quinate;methyl-3,5-di-O-caffeoylquinate

Suppliers and Price of (1S,3R,4R,5R)-3,4-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylic 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

Usbiological
3,4-Dicaffeoylquinic acid
20mg
$ 405.00

TRC
IsochlorogenicAcidB
25mg
$ 1390.00

TRC
IsochlorogenicAcidB
2.5mg
$ 180.00

Sigma-Aldrich
3,4-Di-O-caffeoylquinic acid ≥90% (LC/MS-ELSD)
1mg
$ 352.00

Medical Isotopes, Inc.
IsochlorogenicAcidB
2.5 mg
$ 390.00

JR MediChem
Isochlorogenic?acid?B?(NewProduct) 98%
20mg
$ 108.00

DC Chemicals
IsochlorogenicacidB >98%,StandardReferencesGrade
100 mg
$ 550.00

CSNpharm
IsochlorogenicAcidB
1mg
$ 65.00

CSNpharm
IsochlorogenicAcidB
5mg
$ 107.00

CSNpharm
IsochlorogenicAcidB
10mg
$ 169.00

Total 100 raw suppliers

Chemical Property of (1S,3R,4R,5R)-3,4-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylic acid

Chemical Property:

Vapor Pressure:8.9E-28mmHg at 25°C
Refractive Index:1.719
Boiling Point:810.8 °C at 760 mmHg
PKA:3.70±0.50(Predicted)
Flash Point:274.9 °C
PSA：211.28000
Density:1.64 g/cm³
LogP:1.02960
Storage Temp.:?20°C
Solubility.:Methanol (Slightly)
XLogP3:1.5
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:516.12677620
Heavy Atom Count:37
Complexity:887

Purity/Quality:

95%-98% ^*data from raw suppliers

3,4-Dicaffeoylquinic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O
Isomeric SMILES:C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O
Uses Isochlorgenic Acid is shown to provide antioxidant and DNA-protective activities.

Technology Process of (1S,3R,4R,5R)-3,4-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylic acid

There total 17 articles about (1S,3R,4R,5R)-3,4-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylic 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: 73.0%