![1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone structure](/static/products/862/862116-01-6.png)
1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone
TL;DR: 1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone (CAS 862116-01-6) is a chemical compound with molecular formula C21H18N4O2S and molecular weight 390.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone
Also Known As: 1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone, 1-(4-methoxyphenyl)-2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanone, 1-(4-methoxyphenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}ethanone
| Molecular Formula | C21H18N4O2S |
|---|---|
| Molecular Weight | 390.12 g/mol |
| LogP | 4.10752 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.11505 |
| Heavy Atoms | 28 |
| Complexity | 1121.5768 |
Chemical Identifiers
| CAS Number | 862116-01-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=CC=C(C=C4)OC |
Product Overview
1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone (CAS 862116-01-6), with molecular formula C21H18N4O2S and molecular weight 390.12 g/mol. IUPAC: 1-(4-methoxyphenyl)-2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone.
Chemical Property Profile of 1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone
Property Insights of 1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone
The XLogP value of 4.10752 indicates that 1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
The CAS number of 1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone is 862116-01-6.
What is the molecular formula of 1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
The molecular formula of 1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone is C21H18N4O2S.
What is the molecular weight of 1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
The molecular weight of 1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone is 390.12 g/mol.
Where can I buy 1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
You can request a quote for 1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.