![ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate structure](/static/products/4382/438232-99-6.webp)
ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
TL;DR: ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate (CAS 438232-99-6) is a chemical compound with molecular formula C23H19ClF3N5O4S2 and molecular weight 585.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate, ethyl 2-[[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, ethyl 2-({[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, ethyl 2-(5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, ethyl 5-(N,N-dimethylcarbamoyl)-2-{[5-(5-chloro(2-thienyl))-7-(trifluoromethyl )(8-hydropyrazolo[1,5-a]pyrimidin-2-yl)]carbonylamino}-4-methylthiophene-3-car boxylate
| Molecular Formula | C23H19ClF3N5O4S2 |
|---|---|
| Molecular Weight | 585.05 g/mol |
| LogP | 5.63072 |
| Topological Polar Surface Area | 105.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 585.0519 |
| Heavy Atoms | 38 |
| Complexity | 1574.9829 |
Chemical Identifiers
| CAS Number | 438232-99-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(S4)Cl)C(F)(F)F |
Product Overview
ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate (CAS 438232-99-6), with molecular formula C23H19ClF3N5O4S2 and molecular weight 585.05 g/mol. IUPAC: ethyl 2-[[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
Property Insights of ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
The XLogP value of 5.63072 indicates that ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate has 1 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 ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate?
The CAS number of ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate is 438232-99-6.
What is the molecular formula of ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate?
The molecular formula of ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate is C23H19ClF3N5O4S2.
What is the molecular weight of ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate?
The molecular weight of ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate is 585.05 g/mol.
Where can I buy ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate?
You can request a quote for ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.