![1-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/672/672919-15-2.png)
1-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 1-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 672919-15-2) is a chemical compound with molecular formula C19H22N4O2S and molecular weight 370.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-6-hydroxy-5-[2-(1H-indol-3-yl)ethyliminomethyl]-2-sulfanylidenepyrimidin-4-one
Also Known As: 1-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-1-(butan-2-yl)-5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-1-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-5-(((2-(1H-indol-3-yl)ethyl)amino)methylene)-1-(sec-butyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C19H22N4O2S |
|---|---|
| Molecular Weight | 370.15 g/mol |
| LogP | 3.72539 |
| Topological Polar Surface Area | 86.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.14636 |
| Heavy Atoms | 26 |
| Complexity | 1061.3218 |
Chemical Identifiers
| CAS Number | 672919-15-2 |
|---|---|
| SMILES | CCC(C)N1C(=C(C(=O)NC1=S)C=NCCC2=CNC3=CC=CC=C32)O |
Product Overview
1-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 672919-15-2), with molecular formula C19H22N4O2S and molecular weight 370.15 g/mol. IUPAC: 1-butan-2-yl-6-hydroxy-5-[2-(1H-indol-3-yl)ethyliminomethyl]-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 1-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 1-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 3.72539 indicates that 1-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]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 86.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 1-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has 3 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-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 1-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 672919-15-2.
What is the molecular formula of 1-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 1-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C19H22N4O2S.
What is the molecular weight of 1-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 1-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 370.15 g/mol.
Where can I buy 1-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 1-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]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-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-butan-2-yl-5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.