![3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one structure](/static/products/848/848995-40-4.png)
3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one
TL;DR: 3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one (CAS 848995-40-4) is a chemical compound with molecular formula C18H20N4OS and molecular weight 340.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylbutan-2-one
Also Known As: 3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one, 3,3-dimethyl-1-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutan-2-one, 3,3-dimethyl-1-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}butan-2-one
| Molecular Formula | C18H20N4OS |
|---|---|
| Molecular Weight | 340.14 g/mol |
| LogP | 3.83122 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.13577 |
| Heavy Atoms | 24 |
| Complexity | 878.1653 |
Chemical Identifiers
| CAS Number | 848995-40-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)C(C)(C)C |
Product Overview
3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one (CAS 848995-40-4), with molecular formula C18H20N4OS and molecular weight 340.14 g/mol. IUPAC: 3,3-dimethyl-1-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylbutan-2-one.
Chemical Property Profile of 3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one
Property Insights of 3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one
The XLogP value of 3.83122 indicates that 3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one. Following Lipinski's Rule of Five, 3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one has 0 hydrogen bond donor(s) and 5 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 3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one?
The CAS number of 3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one is 848995-40-4.
What is the molecular formula of 3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one?
The molecular formula of 3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one is C18H20N4OS.
What is the molecular weight of 3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one?
The molecular weight of 3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one is 340.14 g/mol.
Where can I buy 3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one?
You can request a quote for 3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-1-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.