![5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine structure](/static/products/4391/439109-46-3.webp)
5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
TL;DR: 5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CAS 439109-46-3) is a chemical compound with molecular formula C21H12ClF3N4S and molecular weight 444.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chlorophenyl)-2-(3-pyrrol-1-ylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Also Known As: 5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine, 5R-0045, 5-(3-chlorophenyl)-2-(3-pyrrol-1-ylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine, 1-{2-[5-(3-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]thiophen-3-yl}-1H-pyrrole, 1-{2-[5-(3-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]thiophen-3-yl}pyrrole
| Molecular Formula | C21H12ClF3N4S |
|---|---|
| Molecular Weight | 444.04 g/mol |
| LogP | 6.5877 |
| Topological Polar Surface Area | 35.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.04233 |
| Heavy Atoms | 30 |
| Complexity | 1352.6149 |
Chemical Identifiers
| CAS Number | 439109-46-3 |
|---|---|
| SMILES | C1=CN(C=C1)C2=C(SC=C2)C3=NN4C(=CC(=NC4=C3)C5=CC(=CC=C5)Cl)C(F)(F)F |
Product Overview
5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CAS 439109-46-3), with molecular formula C21H12ClF3N4S and molecular weight 444.04 g/mol. IUPAC: 5-(3-chlorophenyl)-2-(3-pyrrol-1-ylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
Chemical Property Profile of 5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Property Insights of 5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
The XLogP value of 6.5877 indicates that 5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.12 Ų, 5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The CAS number of 5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is 439109-46-3.
What is the molecular formula of 5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The molecular formula of 5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is C21H12ClF3N4S.
What is the molecular weight of 5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The molecular weight of 5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is 444.04 g/mol.
Where can I buy 5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
You can request a quote for 5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-chlorophenyl)-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.