![4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate structure](/static/products/4778/477857-39-9.webp)
4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate
TL;DR: 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate (CAS 477857-39-9) is a chemical compound with molecular formula C23H14F3N3O2 and molecular weight 421.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] 3-(trifluoromethyl)benzoate
Also Known As: 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate, [4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] 3-(trifluoromethyl)benzoate, 4-[4-(pyridin-2-yl)pyrimidin-2-yl]phenyl 3-(trifluoromethyl)benzoate, 4-[4-(pyridin-2-yl)pyrimidin-2-yl]phenyl3-(trifluoromethyl)benzoate
| Molecular Formula | C23H14F3N3O2 |
|---|---|
| Molecular Weight | 421.10 g/mol |
| LogP | 5.4436 |
| Topological Polar Surface Area | 64.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.10382 |
| Heavy Atoms | 31 |
| Complexity | 1210.6769 |
Chemical Identifiers
| CAS Number | 477857-39-9 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)C(F)(F)F |
Product Overview
4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate (CAS 477857-39-9), with molecular formula C23H14F3N3O2 and molecular weight 421.10 g/mol. IUPAC: [4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] 3-(trifluoromethyl)benzoate.
Chemical Property Profile of 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate
Property Insights of 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate
The XLogP value of 5.4436 indicates that 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate. Following Lipinski's Rule of Five, 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate has 0 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 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate?
The CAS number of 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate is 477857-39-9.
What is the molecular formula of 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate?
The molecular formula of 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate is C23H14F3N3O2.
What is the molecular weight of 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate?
The molecular weight of 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate is 421.10 g/mol.
Where can I buy 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate?
You can request a quote for 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.