![2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone structure](/static/products/850/850190-86-2.png)
2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone
TL;DR: 2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone (CAS 850190-86-2) is a chemical compound with molecular formula C31H29N3OS and molecular weight 491.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-(1,2-dihydroacenaphthylen-5-yl)ethanone
Also Known As: 2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone, 1-acenaphthen-5-yl-2-[5-(tert-butyl)-2-methyl-3-phenyl(8-hydropyrazolo[1,5-a]p yrimidin-7-ylthio)]ethan-1-one, 2-((5-(tert-butyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-1-(1,2-dihydroacenaphthylen-5-yl)ethanone, 2-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-(1,2-dihydroacenaphthylen-5-yl)ethanone
| Molecular Formula | C31H29N3OS |
|---|---|
| Molecular Weight | 491.20 g/mol |
| LogP | 7.22902 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.20312 |
| Heavy Atoms | 36 |
| Complexity | 1634.1338 |
Chemical Identifiers
| CAS Number | 850190-86-2 |
|---|---|
| SMILES | CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)SCC(=O)C4=CC=C5CCC6=C5C4=CC=C6 |
Product Overview
2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone (CAS 850190-86-2), with molecular formula C31H29N3OS and molecular weight 491.20 g/mol. IUPAC: 2-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-(1,2-dihydroacenaphthylen-5-yl)ethanone.
Chemical Property Profile of 2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone
Property Insights of 2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone
The XLogP value of 7.22902 indicates that 2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.26 Ų, 2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone?
The CAS number of 2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone is 850190-86-2.
What is the molecular formula of 2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone?
The molecular formula of 2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone is C31H29N3OS.
What is the molecular weight of 2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone?
The molecular weight of 2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone is 491.20 g/mol.
Where can I buy 2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone?
You can request a quote for 2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1-(1,2-dihydroacenaphthylen-5-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.