![2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone structure](/static/products/877/877792-06-8.png)
2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone
TL;DR: 2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone (CAS 877792-06-8) is a chemical compound with molecular formula C27H28ClN3O3S and molecular weight 509.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-1-(3,4-dimethoxyphenyl)ethanone
Also Known As: 2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone, 1-(3,4-dimethoxyphenyl)-2-[5-(tert-butyl)-3-(4-chlorophenyl)-2-methyl(8-hydrop yrazolo[1,5-a]pyrimidin-7-ylthio)]ethan-1-one, 2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-1-(3,4-dimethoxyphenyl)ethanone, 2-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-1-(3,4-dimethoxyphenyl)ethanone
| Molecular Formula | C27H28ClN3O3S |
|---|---|
| Molecular Weight | 509.15 g/mol |
| LogP | 6.64782 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.154 |
| Heavy Atoms | 35 |
| Complexity | 1391.8066 |
Chemical Identifiers
| CAS Number | 877792-06-8 |
|---|---|
| SMILES | CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)SCC(=O)C4=CC(=C(C=C4)OC)OC |
Product Overview
2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone (CAS 877792-06-8), with molecular formula C27H28ClN3O3S and molecular weight 509.15 g/mol. IUPAC: 2-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-1-(3,4-dimethoxyphenyl)ethanone.
Chemical Property Profile of 2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone
Property Insights of 2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone
The XLogP value of 6.64782 indicates that 2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone. Following Lipinski's Rule of Five, 2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone has 0 hydrogen bond donor(s) and 6 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-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone?
The CAS number of 2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone is 877792-06-8.
What is the molecular formula of 2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone?
The molecular formula of 2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone is C27H28ClN3O3S.
What is the molecular weight of 2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone?
The molecular weight of 2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone is 509.15 g/mol.
Where can I buy 2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone?
You can request a quote for 2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)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-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.