Dehydrodeoxycholic acid

Base Information

Chemical Name:Dehydrodeoxycholic acid
CAS No.:2958-05-6
Molecular Formula:C24H36 O4
Molecular Weight:388.547
Hs Code.:
European Community (EC) Number:220-982-6
NSC Number:60789
UNII:45UU3FP8KW
DSSTox Substance ID:DTXSID70183753
Nikkaji Number:J39.833K
Wikidata:Q63395899
Metabolomics Workbench ID:36379
ChEMBL ID:CHEMBL3391716
Mol file:2958-05-6.mol

Synonyms:3,12-dioxo-5 beta-cholan-24-oic acid;dehydrodeoxycholic acid;dioxo-DCA

Suppliers and Price of Dehydrodeoxycholic 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
3,12-Diketo-5β-cholanoicAcid
100mg
$ 130.00

American Custom Chemicals Corporation
5-BETA-CHOLANIC ACID-3,12-DIONE 95.00%
5MG
$ 458.05

Total 8 raw suppliers

Chemical Property of Dehydrodeoxycholic acid

Chemical Property:

Melting Point:176 °C(Solv: acetic acid (64-19-7))
Boiling Point:544.7°Cat760mmHg
PKA:4.74±0.10(Predicted)
Flash Point:297.3°C
PSA：71.44000
Density:1.12g/cm³
LogP:4.89430
Storage Temp.:Refrigerator, Under inert atmosphere
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:388.26135963
Heavy Atom Count:28
Complexity:684

Purity/Quality:

99% ^*data from raw suppliers

3,12-Diketo-5β-cholanoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2CCC4C3(CCC(=O)C4)C)C
Isomeric SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C
Uses 3,12-Diketo-5β-cholanoic Acid and other oxo derivatives of cholic, deoxycholic and chenodeoxycholic acids have been studied for their hydrophobicity and hemolytic potential.

Technology Process of Dehydrodeoxycholic acid

There total 18 articles about Dehydrodeoxycholic 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: 100.0%