![Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate structure](/static/products/866/866039-44-3.png)
Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate
TL;DR: Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate (CAS 866039-44-3) is a chemical compound with molecular formula C28H20F6N6O4 and molecular weight 618.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate
Also Known As: Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate, 5W-0041, methyl 3,5-bis({1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methoxy)benzenecarboxylate, methyl 3,5-bis({1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methoxy)benzoate, Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl]methoxy]benzoate
| Molecular Formula | C28H20F6N6O4 |
|---|---|
| Molecular Weight | 618.14 g/mol |
| LogP | 5.8302 |
| Topological Polar Surface Area | 106.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 618.145 |
| Heavy Atoms | 44 |
| Complexity | 1630.2722 |
Chemical Identifiers
| CAS Number | 866039-44-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)OCC2=CN(N=N2)C3=CC=C(C=C3)C(F)(F)F)OCC4=CN(N=N4)C5=CC=C(C=C5)C(F)(F)F |
Product Overview
Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate (CAS 866039-44-3), with molecular formula C28H20F6N6O4 and molecular weight 618.14 g/mol. IUPAC: methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate.
Chemical Property Profile of Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate
Property Insights of Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate
The XLogP value of 5.8302 indicates that Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate. Following Lipinski's Rule of Five, Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate?
The CAS number of Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate is 866039-44-3.
What is the molecular formula of Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate?
The molecular formula of Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate is C28H20F6N6O4.
What is the molecular weight of Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate?
The molecular weight of Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate is 618.14 g/mol.
Where can I buy Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate?
You can request a quote for Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,5-bis[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.