![1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/577/577698-19-2.png)
1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 577698-19-2) is a chemical compound with molecular formula C21H21N3O2S and molecular weight 379.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)-6-hydroxy-5-(1-phenylethyliminomethyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: 1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-(3,4-dimethylphenyl)-5-{[(1-phenylethyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-1-(3,4-dimethylphenyl)-5-(((1-phenylethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C21H21N3O2S |
|---|---|
| Molecular Weight | 379.14 g/mol |
| LogP | 4.39763 |
| Topological Polar Surface Area | 70.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.13544 |
| Heavy Atoms | 27 |
| Complexity | 1114.506 |
Chemical Identifiers
| CAS Number | 577698-19-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=C(C(=O)NC2=S)C=NC(C)C3=CC=CC=C3)O)C |
Product Overview
1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 577698-19-2), with molecular formula C21H21N3O2S and molecular weight 379.14 g/mol. IUPAC: 1-(3,4-dimethylphenyl)-6-hydroxy-5-(1-phenylethyliminomethyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 4.39763 indicates that 1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)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 70.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has 2 hydrogen bond donor(s) and 4 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 1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 577698-19-2.
What is the molecular formula of 1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C21H21N3O2S.
What is the molecular weight of 1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 379.14 g/mol.
Where can I buy 1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)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 1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dimethylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.