![2-(4,6-dimethylpyrimidin-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/7745/774562-35-5.webp)
2-(4,6-dimethylpyrimidin-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one (CAS 774562-35-5) is a chemical compound with molecular formula C17H16N8OS and molecular weight 380.12 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-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one
Also Known As: 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one, 2-(4,6-dimethylpyrimidin-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one, 1-(4,6-dimethylpyrimidin-2-yl)-3-(((1-phenyl-1H-tetrazol-5-yl)thio)methyl)-1H-pyrazol-5(4H)-one, 1-(4,6-dimethylpyrimidin-2-yl)-3-[(1-phenyl(1,2,3,4-tetraazol-5-ylthio))methyl ]-2-pyrazolin-5-one, 2-(4,6-DIMETHYL-2-PYRIMIDINYL)-5-{[(1-PHENYL-1H-1,2,3,4-TETRAAZOL-5-YL)SULFANYL]METHYL}-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
| Molecular Formula | C17H16N8OS |
|---|---|
| Molecular Weight | 380.12 g/mol |
| LogP | 1.95414 |
| Topological Polar Surface Area | 102.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.1168 |
| Heavy Atoms | 27 |
| Complexity | 996.5327 |
Chemical Identifiers
| CAS Number | 774562-35-5 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N2C(=O)CC(=N2)CSC3=NN=NN3C4=CC=CC=C4)C |
Product Overview
2-(4,6-dimethylpyrimidin-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one (CAS 774562-35-5), with molecular formula C17H16N8OS and molecular weight 380.12 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one.
Chemical Property Profile of 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 1.95414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one. The TPSA of 102.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one has 0 hydrogen bond donor(s) and 8 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-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one is 774562-35-5.
What is the molecular formula of 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one is C17H16N8OS.
What is the molecular weight of 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one is 380.12 g/mol.
Where can I buy 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-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-{[(1-phenyl-1H-tetrazol-5-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-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.