![[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone structure](/static/products/4450/445037-18-3.webp)
[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone
TL;DR: [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone (CAS 445037-18-3) is a chemical compound with molecular formula C25H28F2N4O and molecular weight 438.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
Also Known As: [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone, 7-(difluoromethyl)-5-(4-methylphenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]pyrazolo[1,5-a]pyrimidine, [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl](1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanone, [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone, 6-[7-(DIFLUOROMETHYL)-5-(4-METHYLPHENYL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONYL]-1,3,3-TRIMETHYL-6-AZABICYCLO[3.2.1]OCTANE
| Molecular Formula | C25H28F2N4O |
|---|---|
| Molecular Weight | 438.22 g/mol |
| LogP | 5.68312 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 438.2231 |
| Heavy Atoms | 32 |
| Complexity | 1200.6223 |
Chemical Identifiers
| CAS Number | 445037-18-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CC5(CC4CC(C5)(C)C)C |
Product Overview
[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone (CAS 445037-18-3), with molecular formula C25H28F2N4O and molecular weight 438.22 g/mol. IUPAC: [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.
Chemical Property Profile of [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone
Property Insights of [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone
The XLogP value of 5.68312 indicates that [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.5 Ų, [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone?
The CAS number of [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone is 445037-18-3.
What is the molecular formula of [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone?
The molecular formula of [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone is C25H28F2N4O.
What is the molecular weight of [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone?
The molecular weight of [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone is 438.22 g/mol.
Where can I buy [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone?
You can request a quote for [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.