![ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate structure](/static/products/955/955976-70-2.png)
ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
TL;DR: ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate (CAS 955976-70-2) is a chemical compound with molecular formula C16H11BrF3N3O2S and molecular weight 444.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
Also Known As: ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, Ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate, 7R-0014, ethyl 1-[4-(4-bromophenyl)thiazol-2-yl]-5-tri-fluoromethyl-1h-pyrazole-4-carboxylate, ethyl1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
| Molecular Formula | C16H11BrF3N3O2S |
|---|---|
| Molecular Weight | 444.97 g/mol |
| LogP | 4.9538 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.97073 |
| Heavy Atoms | 26 |
| Complexity | 935.1157 |
Chemical Identifiers
| CAS Number | 955976-70-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=C(C=C3)Br)C(F)(F)F |
Product Overview
ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate (CAS 955976-70-2), with molecular formula C16H11BrF3N3O2S and molecular weight 444.97 g/mol. IUPAC: ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate.
Chemical Property Profile of ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Property Insights of ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
The XLogP value of 4.9538 indicates that ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate is 955976-70-2.
What is the molecular formula of ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate is C16H11BrF3N3O2S.
What is the molecular weight of ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate is 444.97 g/mol.
Where can I buy ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-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-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.