![methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate structure](/static/products/3526/352690-87-0.webp)
methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
TL;DR: methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate (CAS 352690-87-0) is a chemical compound with molecular formula C20H14ClF3N4O3S2 and molecular weight 514.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate, methyl 2-[[3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate, methyl 2-({[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethylthiophene-3-carboxylate, methyl 2-(3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamido)-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C20H14ClF3N4O3S2 |
|---|---|
| Molecular Weight | 514.01 g/mol |
| LogP | 5.84724 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 514.0148 |
| Heavy Atoms | 33 |
| Complexity | 1394.1874 |
Chemical Identifiers
| CAS Number | 352690-87-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=CS4)C(F)(F)F)C |
Product Overview
methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate (CAS 352690-87-0), with molecular formula C20H14ClF3N4O3S2 and molecular weight 514.01 g/mol. IUPAC: methyl 2-[[3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
Property Insights of methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
The XLogP value of 5.84724 indicates that methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate has 1 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 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate?
The CAS number of methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate is 352690-87-0.
What is the molecular formula of methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate?
The molecular formula of methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate is C20H14ClF3N4O3S2.
What is the molecular weight of methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate?
The molecular weight of methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate is 514.01 g/mol.
Where can I buy methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate?
You can request a quote for methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-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 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.