![3-{2-[(3-chlorobenzyl)sulfanyl]-4-pyrimidinyl}-1-(4-methylphenyl)-4(1H)-pyridazinone structure](/static/products/4780/478077-68-8.webp)
3-{2-[(3-chlorobenzyl)sulfanyl]-4-pyrimidinyl}-1-(4-methylphenyl)-4(1H)-pyridazinone
TL;DR: 3-{2-[(3-chlorobenzyl)sulfanyl]-4-pyrimidinyl}-1-(4-methylphenyl)-4(1H)-pyridazinone (CAS 478077-68-8) is a chemical compound with molecular formula C22H17ClN4OS and molecular weight 420.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(3-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-1-(4-methylphenyl)pyridazin-4-one
Also Known As: 3-{2-[(3-chlorobenzyl)sulfanyl]-4-pyrimidinyl}-1-(4-methylphenyl)-4(1H)-pyridazinone, 3-[2-[(3-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-1-(4-methylphenyl)pyridazin-4-one, 3-(2-{[(3-chlorophenyl)methyl]sulfanyl}pyrimidin-4-yl)-1-(4-methylphenyl)-1,4-dihydropyridazin-4-one
| Molecular Formula | C22H17ClN4OS |
|---|---|
| Molecular Weight | 420.08 g/mol |
| LogP | 4.94362 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.08115 |
| Heavy Atoms | 29 |
| Complexity | 1207.8473 |
Chemical Identifiers
| CAS Number | 478077-68-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C3=NC(=NC=C3)SCC4=CC(=CC=C4)Cl |
Product Overview
3-{2-[(3-chlorobenzyl)sulfanyl]-4-pyrimidinyl}-1-(4-methylphenyl)-4(1H)-pyridazinone (CAS 478077-68-8), with molecular formula C22H17ClN4OS and molecular weight 420.08 g/mol. IUPAC: 3-[2-[(3-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-1-(4-methylphenyl)pyridazin-4-one.
Chemical Property Profile of 3-{2-[(3-chlorobenzyl)sulfanyl]-4-pyrimidinyl}-1-(4-methylphenyl)-4(1H)-pyridazinone
Property Insights of 3-{2-[(3-chlorobenzyl)sulfanyl]-4-pyrimidinyl}-1-(4-methylphenyl)-4(1H)-pyridazinone
The XLogP value of 4.94362 indicates that 3-{2-[(3-chlorobenzyl)sulfanyl]-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-[(3-chlorobenzyl)sulfanyl]-4-pyrimidinyl}-1-(4-methylphenyl)-4(1H)-pyridazinone. Following Lipinski's Rule of Five, 3-{2-[(3-chlorobenzyl)sulfanyl]-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-[(3-chlorobenzyl)sulfanyl]-4-pyrimidinyl}-1-(4-methylphenyl)-4(1H)-pyridazinone?
The CAS number of 3-{2-[(3-chlorobenzyl)sulfanyl]-4-pyrimidinyl}-1-(4-methylphenyl)-4(1H)-pyridazinone is 478077-68-8.
What is the molecular formula of 3-{2-[(3-chlorobenzyl)sulfanyl]-4-pyrimidinyl}-1-(4-methylphenyl)-4(1H)-pyridazinone?
The molecular formula of 3-{2-[(3-chlorobenzyl)sulfanyl]-4-pyrimidinyl}-1-(4-methylphenyl)-4(1H)-pyridazinone is C22H17ClN4OS.
What is the molecular weight of 3-{2-[(3-chlorobenzyl)sulfanyl]-4-pyrimidinyl}-1-(4-methylphenyl)-4(1H)-pyridazinone?
The molecular weight of 3-{2-[(3-chlorobenzyl)sulfanyl]-4-pyrimidinyl}-1-(4-methylphenyl)-4(1H)-pyridazinone is 420.08 g/mol.
Where can I buy 3-{2-[(3-chlorobenzyl)sulfanyl]-4-pyrimidinyl}-1-(4-methylphenyl)-4(1H)-pyridazinone?
You can request a quote for 3-{2-[(3-chlorobenzyl)sulfanyl]-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-[(3-chlorobenzyl)sulfanyl]-4-pyrimidinyl}-1-(4-methylphenyl)-4(1H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for 3-{2-[(3-chlorobenzyl)sulfanyl]-4-pyrimidinyl}-1-(4-methylphenyl)-4(1H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.