![(5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/680/680218-83-1.png)
(5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 680218-83-1) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)-5-(furan-2-ylmethyliminomethyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-(3,4-dimethylphenyl)-5-{[(furan-2-ylmethyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-1-(3,4-dimethylphenyl)-5-(((furan-2-ylmethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-(3,4-Dimethyl-phenyl)-5-[1-[(furan-2-ylmethyl)-amino]-meth-(Z)-ylidene]-2-thioxo-dihydro-pyrimidine-4, 6-dione
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 3.42963 |
| Topological Polar Surface Area | 83.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 1046.4136 |
Chemical Identifiers
| CAS Number | 680218-83-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=C(C(=O)NC2=S)C=NCC3=CC=CO3)O)C |
Product Overview
(5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 680218-83-1), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: 1-(3,4-dimethylphenyl)-5-(furan-2-ylmethyliminomethyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 3.42963 indicates that (5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)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 83.52 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has 2 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 (5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 680218-83-1.
What is the molecular formula of (5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C18H17N3O3S.
What is the molecular weight of (5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 355.10 g/mol.
Where can I buy (5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)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 (5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(3,4-dimethylphenyl)-5-[(furan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.