![methyl 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/4382/438218-28-1.webp)
methyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate
TL;DR: methyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate (CAS 438218-28-1) is a chemical compound with molecular formula C24H20F3N5O4S and molecular weight 531.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-carbamoyl-2-[[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: methyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate, methyl 5-carbamoyl-2-[[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate, methyl 2-{[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]py rimidin-2-yl)]carbonylamino}-5-carbamoyl-4-methylthiophene-3-carboxylate, methyl 5-carbamoyl-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate, methyl 5-carbamoyl-2-(5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamido)-4-methylthiophene-3-carboxylate
| Molecular Formula | C24H20F3N5O4S |
|---|---|
| Molecular Weight | 531.12 g/mol |
| LogP | 4.53966 |
| Topological Polar Surface Area | 128.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.11884 |
| Heavy Atoms | 37 |
| Complexity | 1589.4775 |
Chemical Identifiers
| CAS Number | 438218-28-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=C(C(=C(S4)C(=O)N)C)C(=O)OC)C |
Product Overview
methyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate (CAS 438218-28-1), with molecular formula C24H20F3N5O4S and molecular weight 531.12 g/mol. IUPAC: methyl 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 methyl 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 methyl 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 4.53966 indicates that methyl 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 methyl 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, methyl 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 methyl 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 methyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate is 438218-28-1.
What is the molecular formula of methyl 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 methyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate is C24H20F3N5O4S.
What is the molecular weight of methyl 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 methyl 5-(aminocarbonyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate is 531.12 g/mol.
Where can I buy methyl 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 methyl 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 methyl 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 methyl 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.