1,3-Bis(2-hydroxy-5-(trifluoromethyl)phenyl)urea

Base Information

Chemical Name:1,3-Bis(2-hydroxy-5-(trifluoromethyl)phenyl)urea
CAS No.:448895-37-2
Molecular Formula:C15H10F6N2O3
Molecular Weight:380.24200
Hs Code.:
European Community (EC) Number:636-941-4
UNII:0I579CNG0I
DSSTox Substance ID:DTXSID00436481
Nikkaji Number:J2.740.653J
Wikidata:Q27088049
Pharos Ligand ID:127QWT9G1PPU
ChEMBL ID:CHEMBL1514181
Mol file:448895-37-2.mol

Synonyms:1,3-bis(2-hydroxy-5-trifluoromethylphenyl)urea;NS 1643;NS-1643;NS1643

Suppliers and Price of 1,3-Bis(2-hydroxy-5-(trifluoromethyl)phenyl)urea

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
NS1643
25mg
$ 160.00

Sigma-Aldrich
NS1643 ≥98% (HPLC), solid
5mg
$ 203.00

Sigma-Aldrich
NS1643 ≥98% (HPLC), solid
25mg
$ 706.00

Medical Isotopes, Inc.
NS1643
10 mg
$ 610.00

Matrix Scientific
1,3-Bis(2-hydroxy-5-(trifluoromethyl)phenyl)urea 95+%
1g
$ 756.00

DC Chemicals
NS-1643 >98%
1 g
$ 1100.00

DC Chemicals
NS-1643 >98%
250 mg
$ 600.00

Crysdot
NS1643 98+%
100mg
$ 399.00

Crysdot
NS1643 98+%
50mg
$ 257.00

ChemScene
NS1643 96.51%
10mg
$ 65.00

Total 23 raw suppliers

Chemical Property of 1,3-Bis(2-hydroxy-5-(trifluoromethyl)phenyl)urea

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:342.311oC at 760 mmHg
PKA:6.84±0.13(Predicted)
Flash Point:160.824oC
PSA：81.59000
Density:1.627g/cm3
LogP:4.92540
Storage Temp.:Store at +4°C
Solubility.:DMSO: ≥20mg/mL
XLogP3:3.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:2
Exact Mass:380.05956116
Heavy Atom Count:26
Complexity:457

Purity/Quality:

99%, ^*data from raw suppliers

NS1643 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22-36
Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC(=C(C=C1C(F)(F)F)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)O)O
Uses NS 1643 is a human ether-a-go-go-related gene 1 potassium channel (KCNH2) activator.

Technology Process of 1,3-Bis(2-hydroxy-5-(trifluoromethyl)phenyl)urea

There total 2 articles about 1,3-Bis(2-hydroxy-5-(trifluoromethyl)phenyl)urea 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:

: 6064-14-8
1,3-bis(2-methoxy-5-trifluoromethylphenyl)urea

: 448895-37-2
NS₁₆₄₃

Guidance literature:: With boron tribromide; In dichloromethane;
DOI:10.1124/mol.105.015859

Reference yield:

: 349-65-5
2-Methoxy-5-trifluoromethyl-aniline

: 448895-37-2
NS₁₆₄₃

Guidance literature:: Multi-step reaction with 2 steps

1: NEt₃ / toluene

2: boron bromide / CH₂Cl₂

With boron tribromide; triethylamine; In dichloromethane; toluene;
DOI:10.1124/mol.105.015859