Bergamottin

Base Information

Chemical Name:Bergamottin
CAS No.:7380-40-7
Molecular Formula:C21H22O4
Molecular Weight:338.403
Hs Code.:
European Community (EC) Number:639-137-1,866-344-6
NSC Number:710599
UNII:JMU611YFRB
DSSTox Substance ID:DTXSID50897528
Nikkaji Number:J15.428H
Wikipedia:Bergamottin
Wikidata:Q568006
Pharos Ligand ID:GQCUMLS1W6LD
Metabolomics Workbench ID:73977
ChEMBL ID:CHEMBL1078442
Mol file:7380-40-7.mol

Synonyms:5-geranoxypsoralen;8-geranyloxypsoralen;bergamottin

Suppliers and Price of Bergamottin

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
Bergamottin
100mg
$ 1110.00

Sigma-Aldrich
Bergamottin analytical standard
5 mg
$ 145.00

Sigma-Aldrich
Bergamottin analytical standard
5mg-f
$ 141.00

Medical Isotopes, Inc.
Bergamottin
100 mg
$ 2120.00

DC Chemicals
Bergamottin >98%
1 g
$ 1900.00

DC Chemicals
Bergamottin >98%
100 mg
$ 532.00

CSNpharm
Bergaptin
10mg
$ 162.00

ChemScene
Bergamottin 99.80%
25mg
$ 390.00

ChemScene
Bergamottin 99.80%
5mg
$ 110.00

ChemScene
Bergamottin 99.80%
10mg
$ 190.00

Total 48 raw suppliers

Chemical Property of Bergamottin

Chemical Property:

Vapor Pressure:2.85E-10mmHg at 25°C
Melting Point:75-80 °C
Refractive Index:1.583
Boiling Point:503.7 °C at 760 mmHg
Flash Point:258.4 °C
PSA：52.58000
Density:1.153 g/cm³
LogP:5.61070
Storage Temp.:2-8°C
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:5.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:338.15180918
Heavy Atom Count:25
Complexity:570

Purity/Quality:

≥98% ^*data from raw suppliers

Bergamottin ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 22-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CCCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C
Isomeric SMILES:CC(=CCC/C(=C/COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C)C
Uses Bergamottin (BG), a component of grapefruit juice, is a mechanism-based inactivator of CYP3A4 and contributes, in part, to the grapefruit juice-drug interaction.

Technology Process of Bergamottin

There total 4 articles about Bergamottin 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: 98.0%