![(5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/5931/5931-05-5.webp)
(5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 5931-05-5) is a chemical compound with molecular formula C20H17BrN2O4S and molecular weight 460.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(3-bromo-4-methoxybenzylidene)-1-(4-ethoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C20H17BrN2O4S |
|---|---|
| Molecular Weight | 460.01 g/mol |
| LogP | 3.6877 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.00925 |
| Heavy Atoms | 28 |
| Complexity | 972.671 |
Chemical Identifiers
| CAS Number | 5931-05-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OC)Br)/C(=O)NC2=S |
Product Overview
(5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 5931-05-5), with molecular formula C20H17BrN2O4S and molecular weight 460.01 g/mol. IUPAC: (5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 3.6877 indicates that (5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione has 1 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-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 5931-05-5.
What is the molecular formula of (5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is C20H17BrN2O4S.
What is the molecular weight of (5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 460.01 g/mol.
Where can I buy (5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-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 (5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.