ethyl 1-(4,6-diphenyl-2-pyrimidinyl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate
TL;DR: ethyl 1-(4,6-diphenyl-2-pyrimidinyl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate (CAS 301321-04-0) is a chemical compound with molecular formula C28H18F4N4O2 and molecular weight 518.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4,6-diphenylpyrimidin-2-yl)-5-(2,3,4,5-tetrafluorophenyl)pyrazole-4-carboxylate
Also Known As: ethyl 1-(4,6-diphenyl-2-pyrimidinyl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate, A1725/0073436, ethyl 1-(4,6-diphenylpyrimidin-2-yl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate, ethyl 1-(4,6-diphenylpyrimidin-2-yl)-5-(2,3,4,5-tetrafluorophenyl)pyrazole-4-carboxylate, ethyl 1-(4,6-diphenylpyrimidin-2-yl)-5-(2,3,4,5-tetrafluorophenyl)pyrazole-4-c arboxylate
| Molecular Formula | C28H18F4N4O2 |
|---|---|
| Molecular Weight | 518.14 g/mol |
| LogP | 6.3964 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.1366 |
| Heavy Atoms | 38 |
| Complexity | 1582.7577 |
Chemical Identifiers
| CAS Number | 301321-04-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=C(C(=C5F)F)F)F |
Product Overview
ethyl 1-(4,6-diphenyl-2-pyrimidinyl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate (CAS 301321-04-0), with molecular formula C28H18F4N4O2 and molecular weight 518.14 g/mol. IUPAC: ethyl 1-(4,6-diphenylpyrimidin-2-yl)-5-(2,3,4,5-tetrafluorophenyl)pyrazole-4-carboxylate.
Chemical Property Profile of ethyl 1-(4,6-diphenyl-2-pyrimidinyl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate
Property Insights of ethyl 1-(4,6-diphenyl-2-pyrimidinyl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate
The XLogP value of 6.3964 indicates that ethyl 1-(4,6-diphenyl-2-pyrimidinyl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-(4,6-diphenyl-2-pyrimidinyl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 1-(4,6-diphenyl-2-pyrimidinyl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate 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 ethyl 1-(4,6-diphenyl-2-pyrimidinyl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 1-(4,6-diphenyl-2-pyrimidinyl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate is 301321-04-0.
What is the molecular formula of ethyl 1-(4,6-diphenyl-2-pyrimidinyl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 1-(4,6-diphenyl-2-pyrimidinyl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate is C28H18F4N4O2.
What is the molecular weight of ethyl 1-(4,6-diphenyl-2-pyrimidinyl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 1-(4,6-diphenyl-2-pyrimidinyl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate is 518.14 g/mol.
Where can I buy ethyl 1-(4,6-diphenyl-2-pyrimidinyl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 1-(4,6-diphenyl-2-pyrimidinyl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-(4,6-diphenyl-2-pyrimidinyl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(4,6-diphenyl-2-pyrimidinyl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.