![(5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/443/443993-77-9.png)
(5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 443993-77-9) is a chemical compound with molecular formula C22H24N4O3S and molecular weight 424.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-(3,5-Dimethyl-phenyl)-5-[1-[5-(4-methyl-piperazin-1-yl)-furan-2-yl]-meth-(Z)-ylidene]-2-thioxo-dihydro-p yrimidine-4,6-dione, (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methyl-1-piperazinyl)-2-furanyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazino)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone, (5Z)-1-(3,5-dimethylphenyl)-5-{[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C22H24N4O3S |
|---|---|
| Molecular Weight | 424.16 g/mol |
| LogP | 2.47954 |
| Topological Polar Surface Area | 69.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.15692 |
| Heavy Atoms | 30 |
| Complexity | 1030.1521 |
Chemical Identifiers
| CAS Number | 443993-77-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)/C(=C\C3=CC=C(O3)N4CCN(CC4)C)/C(=O)NC2=S)C |
Product Overview
(5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 443993-77-9), with molecular formula C22H24N4O3S and molecular weight 424.16 g/mol. IUPAC: (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 2.47954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 69.03 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has 1 hydrogen bond donor(s) and 6 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 (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 443993-77-9.
What is the molecular formula of (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C22H24N4O3S.
What is the molecular weight of (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 424.16 g/mol.
Where can I buy (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.