![3-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone structure](/static/products/4780/478077-70-2.webp)
3-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone
TL;DR: 3-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone (CAS 478077-70-2) is a chemical compound with molecular formula C18H16N4OS and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-3-(2-prop-2-enylsulfanylpyrimidin-4-yl)pyridazin-4-one
Also Known As: 3-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone, 1-(4-methylphenyl)-3-(2-prop-2-enylsulfanylpyrimidin-4-yl)pyridazin-4-one, 1-(4-methylphenyl)-3-[2-(prop-2-en-1-ylsulfanyl)pyrimidin-4-yl]-1,4-dihydropyridazin-4-one, 1-(4-methylphenyl)-3-[2-(prop-2-en-1-ylsulfanyl)pyrimidin-4-yl]pyridazin-4-one
| Molecular Formula | C18H16N4OS |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 3.27602 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.1045 |
| Heavy Atoms | 24 |
| Complexity | 918.80194 |
Chemical Identifiers
| CAS Number | 478077-70-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C3=NC(=NC=C3)SCC=C |
Product Overview
3-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone (CAS 478077-70-2), with molecular formula C18H16N4OS and molecular weight 336.10 g/mol. IUPAC: 1-(4-methylphenyl)-3-(2-prop-2-enylsulfanylpyrimidin-4-yl)pyridazin-4-one.
Chemical Property Profile of 3-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone
Property Insights of 3-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone
The XLogP value of 3.27602 indicates that 3-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone 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-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone. Following Lipinski's Rule of Five, 3-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone 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-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone?
The CAS number of 3-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone is 478077-70-2.
What is the molecular formula of 3-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone?
The molecular formula of 3-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone is C18H16N4OS.
What is the molecular weight of 3-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone?
The molecular weight of 3-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone is 336.10 g/mol.
Where can I buy 3-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone?
You can request a quote for 3-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(allylsulfanyl)-4-pyrimidinyl]-1-(4-methylphenyl)-4(1H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.