![(5E)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione structure](/static/products/861/861629-01-8.png)
(5E)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione
TL;DR: (5E)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione (CAS 861629-01-8) is a chemical compound with molecular formula C20H20N4O2S and molecular weight 380.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-(pyridin-3-ylmethyliminomethyl)-2-sulfanylidene-1-(2,4,6-trimethylphenyl)pyrimidin-4-one
Also Known As: (5E)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione, (E)-1-mesityl-5-(((pyridin-3-ylmethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione
| Molecular Formula | C20H20N4O2S |
|---|---|
| Molecular Weight | 380.13 g/mol |
| LogP | 3.54005 |
| Topological Polar Surface Area | 83.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.1307 |
| Heavy Atoms | 27 |
| Complexity | 1107.9491 |
Chemical Identifiers
| CAS Number | 861629-01-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)N2C(=C(C(=O)NC2=S)C=NCC3=CN=CC=C3)O)C |
Product Overview
(5E)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione (CAS 861629-01-8), with molecular formula C20H20N4O2S and molecular weight 380.13 g/mol. IUPAC: 6-hydroxy-5-(pyridin-3-ylmethyliminomethyl)-2-sulfanylidene-1-(2,4,6-trimethylphenyl)pyrimidin-4-one.
Chemical Property Profile of (5E)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione
Property Insights of (5E)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione
The XLogP value of 3.54005 indicates that (5E)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5E)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-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 (5E)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione?
The CAS number of (5E)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione is 861629-01-8.
What is the molecular formula of (5E)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione is C20H20N4O2S.
What is the molecular weight of (5E)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione is 380.13 g/mol.
Where can I buy (5E)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-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-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.