6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(1,5-a)pyrimidine
TL;DR: 6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(1,5-a)pyrimidine (CAS 100588-97-4) is a chemical compound with molecular formula C17H16F3N3O2 and molecular weight 351.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-7-[2-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
Also Known As: 6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(1,5-a)pyrimidine, Pyrazolo(1,5-a)pyrimidine-6-carboxylic acid, 4,7-dihydro-5-methyl-7-(2-(trifluoromethyl)phenyl)-, ethyl ester, ethyl 5-methyl-7-[2-(trifluoromethyl)phenyl]-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate, 6-ethoxycarbonyl-5,7-dimethyl-5,8-dihydroimidazo[1,2-a]pyrimidine, RefChem:376230
| Molecular Formula | C17H16F3N3O2 |
|---|---|
| Molecular Weight | 351.12 g/mol |
| LogP | 3.7539 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.11948 |
| Heavy Atoms | 25 |
| Complexity | 839.65875 |
Chemical Identifiers
| CAS Number | 100588-97-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=CC=NN2C1C3=CC=CC=C3C(F)(F)F)C |
Product Overview
6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(1,5-a)pyrimidine (CAS 100588-97-4), with molecular formula C17H16F3N3O2 and molecular weight 351.12 g/mol. IUPAC: ethyl 5-methyl-7-[2-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate.
Chemical Property Profile of 6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(1,5-a)pyrimidine
Property Insights of 6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(1,5-a)pyrimidine
The XLogP value of 3.7539 indicates that 6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(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 56.15 Ų, 6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(1,5-a)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(1,5-a)pyrimidine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(1,5-a)pyrimidine?
The CAS number of 6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(1,5-a)pyrimidine is 100588-97-4.
What is the molecular formula of 6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(1,5-a)pyrimidine?
The molecular formula of 6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(1,5-a)pyrimidine is C17H16F3N3O2.
What is the molecular weight of 6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(1,5-a)pyrimidine?
The molecular weight of 6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(1,5-a)pyrimidine is 351.12 g/mol.
Where can I buy 6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(1,5-a)pyrimidine?
You can request a quote for 6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(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 6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(1,5-a)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(1,5-a)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.