![(5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/577/577986-17-5.png)
(5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 577986-17-5) is a chemical compound with molecular formula C17H19N3O4S and molecular weight 361.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-butyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (E)-5-(((benzo[d][1,3]dioxol-5-ylmethyl)amino)methylene)-1-butyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C17H19N3O4S |
|---|---|
| Molecular Weight | 361.11 g/mol |
| LogP | 2.75939 |
| Topological Polar Surface Area | 88.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.10962 |
| Heavy Atoms | 25 |
| Complexity | 917.0846 |
Chemical Identifiers
| CAS Number | 577986-17-5 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)NC1=S)C=NCC2=CC3=C(C=C2)OCO3)O |
Product Overview
(5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 577986-17-5), with molecular formula C17H19N3O4S and molecular weight 361.11 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-butyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 2.75939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 88.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione has 2 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 (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 577986-17-5.
What is the molecular formula of (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione is C17H19N3O4S.
What is the molecular weight of (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 361.11 g/mol.
Where can I buy (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-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)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.