![(5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/348/348596-45-2.png)
(5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 348596-45-2) is a chemical compound with molecular formula C21H20BrN3O3S and molecular weight 473.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-[3-bromo-4-(dimethylamino)benzylidene]-1-(3-ethoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (Z)-5-(3-bromo-4-(dimethylamino)benzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C21H20BrN3O3S |
|---|---|
| Molecular Weight | 473.04 g/mol |
| LogP | 3.7451 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.0409 |
| Heavy Atoms | 29 |
| Complexity | 1019.98096 |
Chemical Identifiers
| CAS Number | 348596-45-2 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)N(C)C)Br)/C(=O)NC2=S |
Product Overview
(5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 348596-45-2), with molecular formula C21H20BrN3O3S and molecular weight 473.04 g/mol. IUPAC: (5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 3.7451 indicates that (5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-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 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-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 (5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 348596-45-2.
What is the molecular formula of (5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is C21H20BrN3O3S.
What is the molecular weight of (5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 473.04 g/mol.
Where can I buy (5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-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 (5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.