![2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/879/879615-98-2.png)
2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one (CAS 879615-98-2) is a chemical compound with molecular formula C16H18N6OS and molecular weight 342.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethylpyrimidin-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4H-pyrazol-3-one
Also Known As: 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one, 1-(4,6-dimethylpyrimidin-2-yl)-3-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1H-pyrazol-5(4H)-one, 1-(4,6-dimethylpyrimidin-2-yl)-3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-2-py razolin-5-one, 1-(4,6-DIMETHYLPYRIMIDIN-2-YL)-3-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4,5-DIHYDRO-1H-PYRAZOL-5-ONE, 2-(4,6-dimethylpyrimidin-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4H-pyrazol-3-one
| Molecular Formula | C16H18N6OS |
|---|---|
| Molecular Weight | 342.13 g/mol |
| LogP | 2.38528 |
| Topological Polar Surface Area | 84.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.12628 |
| Heavy Atoms | 24 |
| Complexity | 794.8125 |
Chemical Identifiers
| CAS Number | 879615-98-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N2C(=O)CC(=N2)CSC3=NC(=CC(=N3)C)C)C |
Product Overview
2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one (CAS 879615-98-2), with molecular formula C16H18N6OS and molecular weight 342.13 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4H-pyrazol-3-one.
Chemical Property Profile of 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 2.38528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one. The TPSA of 84.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one has 0 hydrogen bond donor(s) and 7 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 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one is 879615-98-2.
What is the molecular formula of 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one is C16H18N6OS.
What is the molecular weight of 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one is 342.13 g/mol.
Where can I buy 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.