![(5Z)-1-(3,5-dimethylphenyl)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/6805/680587-48-8.webp)
(5Z)-1-(3,5-dimethylphenyl)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 680587-48-8) is a chemical compound with molecular formula C24H19N3O5S and molecular weight 461.10 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-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-1-(3,5-dimethylphenyl)-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C24H19N3O5S |
|---|---|
| Molecular Weight | 461.10 g/mol |
| LogP | 4.61136 |
| Topological Polar Surface Area | 105.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.10455 |
| Heavy Atoms | 33 |
| Complexity | 1351.9193 |
Chemical Identifiers
| CAS Number | 680587-48-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)/C(=C\C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])C)/C(=O)NC2=S)C |
Product Overview
(5Z)-1-(3,5-dimethylphenyl)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 680587-48-8), with molecular formula C24H19N3O5S and molecular weight 461.10 g/mol. IUPAC: (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 4.61136 indicates that (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.69 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(2-methyl-4-nitrophenyl)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-(2-methyl-4-nitrophenyl)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-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 680587-48-8.
What is the molecular formula of (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C24H19N3O5S.
What is the molecular weight of (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 461.10 g/mol.
Where can I buy (5Z)-1-(3,5-dimethylphenyl)-5-[[5-(2-methyl-4-nitrophenyl)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-(2-methyl-4-nitrophenyl)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-(2-methyl-4-nitrophenyl)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-(2-methyl-4-nitrophenyl)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.