![5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/847/847039-92-3.png)
5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 847039-92-3) is a chemical compound with molecular formula C12H8N4O4S and molecular weight 304.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-6-hydroxy-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylpyrimidin-4(5H)-one, (E)-6-hydroxy-5-(2-(1-oxo-1,3-dihydroisobenzofuran-5-yl)hydrazono)-2-thioxo-2,3-dihydropyrimidin-4(5H)-one
| Molecular Formula | C12H8N4O4S |
|---|---|
| Molecular Weight | 304.03 g/mol |
| LogP | 2.22389 |
| Topological Polar Surface Area | 119.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.0266 |
| Heavy Atoms | 21 |
| Complexity | 883.55664 |
Chemical Identifiers
| CAS Number | 847039-92-3 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)N=NC3=C(NC(=S)NC3=O)O)C(=O)O1 |
Product Overview
5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 847039-92-3), with molecular formula C12H8N4O4S and molecular weight 304.03 g/mol. IUPAC: 6-hydroxy-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 2.22389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 119.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has 3 hydrogen bond donor(s) and 7 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 5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 847039-92-3.
What is the molecular formula of 5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C12H8N4O4S.
What is the molecular weight of 5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 304.03 g/mol.
Where can I buy 5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-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 5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.