![(5E)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/586/586998-49-4.png)
(5E)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5E)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 586998-49-4) is a chemical compound with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-(3,4-dimethylphenyl)-5-{[(4-ethoxyphenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-1-(3,4-dimethylphenyl)-5-(((4-ethoxyphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C21H21N3O3S |
|---|---|
| Molecular Weight | 395.13 g/mol |
| LogP | 4.36683 |
| Topological Polar Surface Area | 79.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.13037 |
| Heavy Atoms | 28 |
| Complexity | 1145.0378 |
Chemical Identifiers
| CAS Number | 586998-49-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N=CC2=C(N(C(=S)NC2=O)C3=CC(=C(C=C3)C)C)O |
Product Overview
(5E)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 586998-49-4), with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol. IUPAC: 1-(3,4-dimethylphenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5E)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 4.36683 indicates that (5E)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)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 79.61 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5E)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)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-[(4-ethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5E)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 586998-49-4.
What is the molecular formula of (5E)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C21H21N3O3S.
What is the molecular weight of (5E)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 395.13 g/mol.
Where can I buy (5E)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)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-[(4-ethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.