![5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide structure](/static/products/4385/438531-82-9.webp)
5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
TL;DR: 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CAS 438531-82-9) is a chemical compound with molecular formula C23H19BrF3N5OS and molecular weight 549.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C23H19BrF3N5OS |
|---|---|
| Molecular Weight | 549.04 g/mol |
| LogP | 6.37018 |
| Topological Polar Surface Area | 82.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 549.04456 |
| Heavy Atoms | 34 |
| Complexity | 1291.648 |
Chemical Identifiers
| CAS Number | 438531-82-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN4C(CC(NC4=C3)C5=CC=C(C=C5)Br)C(F)(F)F)C#N |
Product Overview
5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CAS 438531-82-9), with molecular formula C23H19BrF3N5OS and molecular weight 549.04 g/mol. IUPAC: 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Property Insights of 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
The XLogP value of 6.37018 indicates that 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide. Following Lipinski's Rule of Five, 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The CAS number of 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is 438531-82-9.
What is the molecular formula of 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The molecular formula of 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is C23H19BrF3N5OS.
What is the molecular weight of 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The molecular weight of 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is 549.04 g/mol.
Where can I buy 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
You can request a quote for 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.