5-((4-bromobenzyl)oxy)-2-(5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)phenol
TL;DR: 5-((4-bromobenzyl)oxy)-2-(5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)phenol (CAS 896858-48-3) is a chemical compound with molecular formula C25H18BrF3N2O3 and molecular weight 530.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-bromophenyl)methoxy]-2-[5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
Also Known As: 5-((4-bromobenzyl)oxy)-2-(5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)phenol, 5-[(4-bromobenzyl)oxy]-2-[5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol, (6Z)-3-[(4-bromophenyl)methoxy]-6-[5-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one, 3-[(4-bromophenyl)methoxy]-6-[5-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one, 5-[(4-bromophenyl)methoxy]-2-[5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin -4-yl]phenol
| Molecular Formula | C25H18BrF3N2O3 |
|---|---|
| Molecular Weight | 530.05 g/mol |
| LogP | 6.8851 |
| Topological Polar Surface Area | 64.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 530.0453 |
| Heavy Atoms | 34 |
| Complexity | 1311.7931 |
Chemical Identifiers
| CAS Number | 896858-48-3 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=C(N=CN=C2C(F)(F)F)C3=C(C=C(C=C3)OCC4=CC=C(C=C4)Br)O |
Product Overview
5-((4-bromobenzyl)oxy)-2-(5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)phenol (CAS 896858-48-3), with molecular formula C25H18BrF3N2O3 and molecular weight 530.05 g/mol. IUPAC: 5-[(4-bromophenyl)methoxy]-2-[5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol.
Chemical Property Profile of 5-((4-bromobenzyl)oxy)-2-(5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)phenol
Property Insights of 5-((4-bromobenzyl)oxy)-2-(5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)phenol
The XLogP value of 6.8851 indicates that 5-((4-bromobenzyl)oxy)-2-(5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((4-bromobenzyl)oxy)-2-(5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)phenol. Following Lipinski's Rule of Five, 5-((4-bromobenzyl)oxy)-2-(5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)phenol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-((4-bromobenzyl)oxy)-2-(5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)phenol?
The CAS number of 5-((4-bromobenzyl)oxy)-2-(5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)phenol is 896858-48-3.
What is the molecular formula of 5-((4-bromobenzyl)oxy)-2-(5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)phenol?
The molecular formula of 5-((4-bromobenzyl)oxy)-2-(5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)phenol is C25H18BrF3N2O3.
What is the molecular weight of 5-((4-bromobenzyl)oxy)-2-(5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)phenol?
The molecular weight of 5-((4-bromobenzyl)oxy)-2-(5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)phenol is 530.05 g/mol.
Where can I buy 5-((4-bromobenzyl)oxy)-2-(5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)phenol?
You can request a quote for 5-((4-bromobenzyl)oxy)-2-(5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((4-bromobenzyl)oxy)-2-(5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-bromobenzyl)oxy)-2-(5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.