Caldaret

Base Information Edit

Chemical Name:Caldaret
CAS No.:133804-44-1
Molecular Formula:C11H16 N2 O3 S
Molecular Weight:256.326
Hs Code.:
UNII:9L3Y3IJ2HI
DSSTox Substance ID:DTXSID80158376
Nikkaji Number:J1.589.106H
Wikidata:Q27272692
NCI Thesaurus Code:C77830
ChEMBL ID:CHEMBL2106572
Mol file:133804-44-1.mol

Synonyms:caldaret

Suppliers and Price of Caldaret

Supply Marketing:Edit

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

CSNpharm
Caldaret
5mg
$ 481.00

CSNpharm
Caldaret
1mg
$ 300.00

CSNpharm
Caldaret
10mg
$ 769.00

American Custom Chemicals Corporation
5-METHYL-2-(1-PIPERAZINYL)-BENZENESULFONIC ACID 95.00%
5MG
$ 504.92

Total 1 raw suppliers

Chemical Property of Caldaret Edit

Chemical Property:

Boiling Point:°Cat760mmHg
PKA:-1.76±0.42(Predicted)
Flash Point:°C
PSA：78.02000
Density:1.302g/cm³
LogP:2.12590
XLogP3:-1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:256.08816355
Heavy Atom Count:17
Complexity:346

Purity/Quality:

99% ^*data from raw suppliers

Caldaret ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C=C1)N2CCNCC2)S(=O)(=O)O

Technology Process of Caldaret

There total 4 articles about Caldaret 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: 65.0%