![5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/674/674816-35-4.png)
5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 674816-35-4) is a chemical compound with molecular formula C14H22N4O2S and molecular weight 310.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(azepan-1-yl)ethyliminomethyl]-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-({[2-(azepan-1-yl)ethyl]amino}methylidene)-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-5-(((2-(azepan-1-yl)ethyl)amino)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C14H22N4O2S |
|---|---|
| Molecular Weight | 310.15 g/mol |
| LogP | 1.44339 |
| Topological Polar Surface Area | 73.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.14636 |
| Heavy Atoms | 21 |
| Complexity | 612.3805 |
Chemical Identifiers
| CAS Number | 674816-35-4 |
|---|---|
| SMILES | CN1C(=C(C(=O)NC1=S)C=NCCN2CCCCCC2)O |
Product Overview
5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 674816-35-4), with molecular formula C14H22N4O2S and molecular weight 310.15 g/mol. IUPAC: 5-[2-(azepan-1-yl)ethyliminomethyl]-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 1.44339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 73.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-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 5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 674816-35-4.
What is the molecular formula of 5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione is C14H22N4O2S.
What is the molecular weight of 5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 310.15 g/mol.
Where can I buy 5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-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-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[[2-(azepan-1-yl)ethylamino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.