![1-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/714/714225-27-1.png)
1-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 1-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 714225-27-1) is a chemical compound with molecular formula C20H19N3O2S and molecular weight 365.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-6-hydroxy-5-(2-phenylethyliminomethyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: 1-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-benzyl-5-{[(2-phenylethyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-1-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-1-benzyl-5-((phenethylamino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C20H19N3O2S |
|---|---|
| Molecular Weight | 365.12 g/mol |
| LogP | 3.32139 |
| Topological Polar Surface Area | 70.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.1198 |
| Heavy Atoms | 26 |
| Complexity | 1008.72144 |
Chemical Identifiers
| CAS Number | 714225-27-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN=CC2=C(N(C(=S)NC2=O)CC3=CC=CC=C3)O |
Product Overview
1-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 714225-27-1), with molecular formula C20H19N3O2S and molecular weight 365.12 g/mol. IUPAC: 1-benzyl-6-hydroxy-5-(2-phenylethyliminomethyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 1-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 1-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 3.32139 indicates that 1-benzyl-5-[(phenethylamino)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 70.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 1-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-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 1-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 1-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 714225-27-1.
What is the molecular formula of 1-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 1-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C20H19N3O2S.
What is the molecular weight of 1-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 1-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 365.12 g/mol.
Where can I buy 1-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 1-benzyl-5-[(phenethylamino)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-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.