Chebulagic acid

Base Information

Chemical Name:Chebulagic acid
CAS No.:23094-71-5
Molecular Formula:C41H30 O27
Molecular Weight:954.673
Hs Code.:
NSC Number:342674,69863
DSSTox Substance ID:DTXSID401026980
Wikipedia:Chebulagic_acid
Wikidata:Q103785778
Metabolomics Workbench ID:125879
ChEMBL ID:CHEMBL1970427
Mol file:23094-71-5.mol

Synonyms:chebulagic acid

Suppliers and Price of Chebulagic 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
Chebulagic acid
10mg
$ 575.00

Sigma-Aldrich
Chebulagic acid phyproof? Reference Substance
10 mg
$ 573.00

Sigma-Aldrich
Chebulagic acid United States Pharmacopeia (USP) Reference Standard
25MG
$ 1570.00

Sigma-Aldrich
Chebulagic acid analytical standard
10mg
$ 995.00

ChemScene
Chebulagic acid 99.29%
25mg
$ 868.00

ChemScene
Chebulagic acid 99.29%
5mg
$ 240.00

ChemScene
Chebulagic acid 99.29%
2mg
$ 156.00

ChemScene
Chebulagic acid 99.29%
10mg
$ 384.00

Cayman Chemical
Chebulagic Acid ≥98%
5mg
$ 380.00

Cayman Chemical
Chebulagic Acid ≥98%
1mg
$ 95.00

Total 43 raw suppliers

Chemical Property of Chebulagic acid

Chemical Property:

Melting Point:>300℃
Boiling Point:1610.6°Cat760mmHg
PKA:4.12±0.10(Predicted)
Flash Point:480°C
PSA：447.09000
Density:2.13g/cm³
LogP:-0.00170
XLogP3:0.4
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:27
Rotatable Bond Count:5
Exact Mass:954.09744568
Heavy Atom Count:68
Complexity:1970

Purity/Quality:

99%, ^*data from raw suppliers

Chebulagic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O

Technology Process of Chebulagic acid

There total 1 articles about Chebulagic 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: 28.0%

: C₅₁H₄₅N₃O₃₃S

: 23094-71-5
chebulagic acid

Guidance literature:: With acetic acid; nickel; In ethanol; water; at 27 ℃; for 4h;
DOI:10.1248/cpb.44.34

Reference yield:

: 147506-92-1,1898-66-4
2,2-diphenyl-1-(2,4,6-trinitrophenyl)hydrazyl

: 23094-71-5
chebulinic acid

: 1707-75-1
2,2-diphenyl-1-picrylhydrazine

Guidance literature:: In methanol; for 0.5h; Ambient temperature; radical scavening effect was measured by colorimetry at 520 nm;

Reference yield:

: 23094-71-5
chebulagic acid

: 79726-18-4,79788-85-5
(+)-3,4-dicarboxy-2-hydroxyadipic-2,4-lactone

Guidance literature:: Multi-step reaction with 2 steps

1: H₂O / Heating

2: potassium permanganate

With potassium permanganate; In water;
DOI:10.1248/cpb.30.2655