![1-Methylethyl 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate structure](/static/products/4382/438231-94-8.webp)
1-Methylethyl 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate
TL;DR: 1-Methylethyl 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate (CAS 438231-94-8) is a chemical compound with molecular formula C30H24ClF3N4O3S2 and molecular weight 644.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: 1-Methylethyl 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate, propan-2-yl 2-({[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methylethyl 2-{[5-(5-chloro(2-thienyl))-7-(trifluoromethyl)(8-hydropyrazolo[1, 5-a]pyrimidin-2-yl)]carbonylamino}-6-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophen e-3-carboxylate, propan-2-yl 2-[[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C30H24ClF3N4O3S2 |
|---|---|
| Molecular Weight | 644.09 g/mol |
| LogP | 8.2815 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 644.093 |
| Heavy Atoms | 43 |
| Complexity | 1846.4751 |
Chemical Identifiers
| CAS Number | 438231-94-8 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4=NN5C(=CC(=NC5=C4)C6=CC=C(S6)Cl)C(F)(F)F |
Product Overview
1-Methylethyl 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate (CAS 438231-94-8), with molecular formula C30H24ClF3N4O3S2 and molecular weight 644.09 g/mol. IUPAC: propan-2-yl 2-[[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of 1-Methylethyl 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate
Property Insights of 1-Methylethyl 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate
The XLogP value of 8.2815 indicates that 1-Methylethyl 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate 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 1-Methylethyl 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, 1-Methylethyl 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[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 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate?
The CAS number of 1-Methylethyl 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate is 438231-94-8.
What is the molecular formula of 1-Methylethyl 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate?
The molecular formula of 1-Methylethyl 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate is C30H24ClF3N4O3S2.
What is the molecular weight of 1-Methylethyl 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate?
The molecular weight of 1-Methylethyl 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate is 644.09 g/mol.
Where can I buy 1-Methylethyl 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate?
You can request a quote for 1-Methylethyl 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[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 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylethyl 2-[[[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.