![1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-4(1H)-pyridazinone structure](/static/products/4780/478077-71-3.webp)
1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-4(1H)-pyridazinone
TL;DR: 1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-4(1H)-pyridazinone (CAS 478077-71-3) is a chemical compound with molecular formula C18H14N4OS and molecular weight 334.09 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-ynylsulfanylpyrimidin-4-yl)pyridazin-4-one
Also Known As: 1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-4(1H)-pyridazinone, 1-(4-methylphenyl)-3-(2-prop-2-ynylsulfanylpyrimidin-4-yl)pyridazin-4-one, 1-(4-methylphenyl)-3-[2-(prop-2-yn-1-ylsulfanyl)pyrimidin-4-yl]-1,4-dihydropyridazin-4-one, 1-(4-methylphenyl)-3-[2-(prop-2-yn-1-ylsulfanyl)pyrimidin-4-yl]pyridazin-4-one
| Molecular Formula | C18H14N4OS |
|---|---|
| Molecular Weight | 334.09 g/mol |
| LogP | 2.72322 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.08884 |
| Heavy Atoms | 24 |
| Complexity | 957.74304 |
Chemical Identifiers
| CAS Number | 478077-71-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C3=NC(=NC=C3)SCC#C |
Product Overview
1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-4(1H)-pyridazinone (CAS 478077-71-3), with molecular formula C18H14N4OS and molecular weight 334.09 g/mol. IUPAC: 1-(4-methylphenyl)-3-(2-prop-2-ynylsulfanylpyrimidin-4-yl)pyridazin-4-one.
Chemical Property Profile of 1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-4(1H)-pyridazinone
Property Insights of 1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-4(1H)-pyridazinone
The XLogP value of 2.72322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-4(1H)-pyridazinone. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-4(1H)-pyridazinone. Following Lipinski's Rule of Five, 1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-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 1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-4(1H)-pyridazinone?
The CAS number of 1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-4(1H)-pyridazinone is 478077-71-3.
What is the molecular formula of 1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-4(1H)-pyridazinone?
The molecular formula of 1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-4(1H)-pyridazinone is C18H14N4OS.
What is the molecular weight of 1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-4(1H)-pyridazinone?
The molecular weight of 1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-4(1H)-pyridazinone is 334.09 g/mol.
Where can I buy 1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-4(1H)-pyridazinone?
You can request a quote for 1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-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 1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-4(1H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methylphenyl)-3-[2-(2-propynylsulfanyl)-4-pyrimidinyl]-4(1H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.