![1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate structure](/static/products/3126/312699-23-3.webp)
1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate
TL;DR: 1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate (CAS 312699-23-3) is a chemical compound with molecular formula C28H27F3N4O4S and molecular weight 572.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: 1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate, isopropyl 2-({[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methyl-, 1-methylethyl ester, propan-2-yl 2-[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 1-Methylethyl 4,5,6,7-tetrahydro-2-(((5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo(1,5-a)pyrimidin-2-yl)carbonyl)amino)-6-methylbenzo(b)thiophene-3-carboxylate
| Molecular Formula | C28H27F3N4O4S |
|---|---|
| Molecular Weight | 572.17 g/mol |
| LogP | 6.4275 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 572.17053 |
| Heavy Atoms | 40 |
| Complexity | 1591.8125 |
Chemical Identifiers
| CAS Number | 312699-23-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=C(C=C5)OC)C(F)(F)F |
Product Overview
1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate (CAS 312699-23-3), with molecular formula C28H27F3N4O4S and molecular weight 572.17 g/mol. IUPAC: propan-2-yl 2-[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of 1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate
Property Insights of 1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate
The XLogP value of 6.4275 indicates that 1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, 1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate 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 1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate?
The CAS number of 1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate is 312699-23-3.
What is the molecular formula of 1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate?
The molecular formula of 1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate is C28H27F3N4O4S.
What is the molecular weight of 1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate?
The molecular weight of 1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate is 572.17 g/mol.
Where can I buy 1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate?
You can request a quote for 1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylethyl 4,5,6,7-tetrahydro-2-[[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-6-methylbenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.