Brassinin

Base Information

Chemical Name:Brassinin
CAS No.:105748-59-2
Molecular Formula:C11H12N2S2
Molecular Weight:236.362
Hs Code.:2933990090
UNII:J2IBO1B8VH
DSSTox Substance ID:DTXSID30909714
Nikkaji Number:J391.783E
Wikidata:Q27117380
NCI Thesaurus Code:C63657
Metabolomics Workbench ID:46004
ChEMBL ID:CHEMBL373777
Mol file:105748-59-2.mol

Synonyms:brassinin;methyl N-(1H-indol-3-ylmethyl)carbamodithioate

Suppliers and Price of Brassinin

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
Brassinin
5mg
$ 90.00

Medical Isotopes, Inc.
Brassinin
10 mg
$ 860.00

DC Chemicals
Brassinin >98%
1 g
$ 850.00

DC Chemicals
Brassinin >98%
250 mg
$ 400.00

DC Chemicals
Brassinin >98%
100 mg
$ 200.00

Cayman Chemical
Brassinin ≥98%
5mg
$ 56.00

Cayman Chemical
Brassinin ≥98%
1mg
$ 25.00

Cayman Chemical
Brassinin ≥98%
10mg
$ 100.00

Cayman Chemical
Brassinin ≥98%
25mg
$ 219.00

Biosynth Carbosynth
Brassinin
100 mg
$ 1320.00

Total 19 raw suppliers

Chemical Property of Brassinin

Chemical Property:

Vapor Pressure:7.8E-08mmHg at 25°C
Melting Point:132-133 ºC
Refractive Index:1.732
Boiling Point:436.899 °C at 760 mmHg
Flash Point:218.029 °C
PSA：85.21000
Density:1.321 g/cm³
LogP:3.29630
Storage Temp.:-20°C Freezer, Under Inert Atmosphere
Solubility.:Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:236.04419074
Heavy Atom Count:15
Complexity:233

Purity/Quality:

99% ^*data from raw suppliers

Brassinin ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC(=S)NCC1=CNC2=CC=CC=C21
Uses A biosynthetic precursor of Brassilexin Brassinin is a plant metabolite of great significance due to its dual role both as an effective phytoalexin and as an early biosynthetic precursor of the majority of the phytoalexins produced by plants of the family Brassicaceae (Cruciferae).

Technology Process of Brassinin

There total 15 articles about Brassinin 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: 95.0%

: 75-15-0,12122-00-8
carbon disulfide

: 22259-53-6
3-aminomethylindole

: 74-88-4
methyl iodide

: 105748-59-2
brassinin

Guidance literature:: carbon disulfide; 3-aminomethylindole; With pyridine; triethylamine; at 0 ℃; for 0.333333h;

methyl iodide; at 0 ℃; for 0.5h;
DOI:10.1016/j.bmc.2006.03.014

Reference yield: 92.0%

: 188988-50-3
1-(tert-butoxycarbonyl)brassinin

: 105748-59-2
brassinin

Guidance literature:: With piperidine; 15-crown-5; sodium thiomethoxide; In acetonitrile; for 1.41667h; Ambient temperature;
DOI:10.1055/s-1997-761