![(5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/578/578733-26-3.png)
(5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 578733-26-3) is a chemical compound with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-Benzyl-5-[1-(2,5-dimethoxy-phenylamino)-meth-(Z)-ylidene]-2-thioxo-dihydro-pyrimidine-4,6-dione, (5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone, 1-benzyl-5-[(2,5-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-1-benzyl-5-{[(2,5-dimethoxyphenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C20H19N3O4S |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 3.42759 |
| Topological Polar Surface Area | 88.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.10962 |
| Heavy Atoms | 28 |
| Complexity | 1120.5302 |
Chemical Identifiers
| CAS Number | 578733-26-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N=CC2=C(N(C(=S)NC2=O)CC3=CC=CC=C3)O |
Product Overview
(5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 578733-26-3), with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol. IUPAC: 1-benzyl-5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 3.42759 indicates that (5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)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 88.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has 2 hydrogen bond donor(s) and 6 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 (5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 578733-26-3.
What is the molecular formula of (5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C20H19N3O4S.
What is the molecular weight of (5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 397.11 g/mol.
Where can I buy (5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)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 (5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-1-benzyl-5-[(2,5-dimethoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.