![5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/578/578699-76-0.png)
5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 578699-76-0) is a chemical compound with molecular formula C13H11N3O4S and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[(benzo[1,3]dioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one, 5-(((benzo[d][1,3]dioxol-5-ylmethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C13H11N3O4S |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 1.48589 |
| Topological Polar Surface Area | 99.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.04703 |
| Heavy Atoms | 21 |
| Complexity | 824.8966 |
Chemical Identifiers
| CAS Number | 578699-76-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN=CC3=C(NC(=S)NC3=O)O |
Product Overview
5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 578699-76-0), with molecular formula C13H11N3O4S and molecular weight 305.05 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 1.48589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 99.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has 3 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 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 578699-76-0.
What is the molecular formula of 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C13H11N3O4S.
What is the molecular weight of 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 305.05 g/mol.
Where can I buy 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 5-[(1,3-benzodioxol-5-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 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.