![5-[(benzylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione structure](/static/products/714/714244-58-3.png)
5-[(benzylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione
TL;DR: 5-[(benzylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione (CAS 714244-58-3) is a chemical compound with molecular formula C21H21N3O2S and molecular weight 379.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzyliminomethyl)-6-hydroxy-2-sulfanylidene-1-(2,4,6-trimethylphenyl)pyrimidin-4-one
Also Known As: 5-[(benzylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione, (E)-5-((benzylamino)methylene)-1-mesityl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[(benzylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione, (5Z)-5-[(benzylamino)methylidene]-2-sulfanyl-1-(2,4,6-trimethylphenyl)pyrimidine-4,6(1H,5H)-dione, (5Z)-5-[(benzylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione
| Molecular Formula | C21H21N3O2S |
|---|---|
| Molecular Weight | 379.14 g/mol |
| LogP | 4.14505 |
| Topological Polar Surface Area | 70.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.13544 |
| Heavy Atoms | 27 |
| Complexity | 1105.3942 |
Chemical Identifiers
| CAS Number | 714244-58-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)N2C(=C(C(=O)NC2=S)C=NCC3=CC=CC=C3)O)C |
Product Overview
5-[(benzylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione (CAS 714244-58-3), with molecular formula C21H21N3O2S and molecular weight 379.14 g/mol. IUPAC: 5-(benzyliminomethyl)-6-hydroxy-2-sulfanylidene-1-(2,4,6-trimethylphenyl)pyrimidin-4-one.
Chemical Property Profile of 5-[(benzylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione
Property Insights of 5-[(benzylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione
The XLogP value of 4.14505 indicates that 5-[(benzylamino)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 70.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(benzylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 5-[(benzylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione has 2 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 5-[(benzylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione?
The CAS number of 5-[(benzylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione is 714244-58-3.
What is the molecular formula of 5-[(benzylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione?
The molecular formula of 5-[(benzylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione is C21H21N3O2S.
What is the molecular weight of 5-[(benzylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione?
The molecular weight of 5-[(benzylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione is 379.14 g/mol.
Where can I buy 5-[(benzylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione?
You can request a quote for 5-[(benzylamino)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 5-[(benzylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(benzylamino)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.