![ethyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate structure](/static/products/4382/438222-03-8.webp)
ethyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate
TL;DR: ethyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate (CAS 438222-03-8) is a chemical compound with molecular formula C25H22F3N5O4S and molecular weight 545.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-carbamoyl-2-[[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: ethyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate, Ethyl 5-(aminocarbonyl)-2-[[[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4-methyl-3-thiophenecarboxylate, ethyl 5-carbamoyl-2-[[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate, ethyl 2-{[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyr imidin-2-yl)]carbonylamino}-5-carbamoyl-4-methylthiophene-3-carboxylate, ethyl 5-carbamoyl-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate
| Molecular Formula | C25H22F3N5O4S |
|---|---|
| Molecular Weight | 545.13 g/mol |
| LogP | 4.92976 |
| Topological Polar Surface Area | 128.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 545.13446 |
| Heavy Atoms | 38 |
| Complexity | 1606.7516 |
Chemical Identifiers
| CAS Number | 438222-03-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC(=C(C=C4)C)C)C(F)(F)F |
Product Overview
ethyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate (CAS 438222-03-8), with molecular formula C25H22F3N5O4S and molecular weight 545.13 g/mol. IUPAC: ethyl 5-carbamoyl-2-[[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate
Property Insights of ethyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate
The XLogP value of 4.92976 indicates that ethyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, ethyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate?
The CAS number of ethyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate is 438222-03-8.
What is the molecular formula of ethyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate?
The molecular formula of ethyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate is C25H22F3N5O4S.
What is the molecular weight of ethyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate?
The molecular weight of ethyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate is 545.13 g/mol.
Where can I buy ethyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate?
You can request a quote for ethyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-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 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.