(5E)-5-(5-bromo-2-ethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-5-(5-bromo-2-ethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 680593-30-0) is a chemical compound with molecular formula C21H19BrN2O3S and molecular weight 458.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-1-(3,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-5-(5-bromo-2-ethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-1-(3,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C21H19BrN2O3S |
|---|---|
| Molecular Weight | 458.03 g/mol |
| LogP | 4.29594 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.02997 |
| Heavy Atoms | 28 |
| Complexity | 996.45544 |
Chemical Identifiers
| CAS Number | 680593-30-0 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)Br)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC(=CC(=C3)C)C |
Product Overview
(5E)-5-(5-bromo-2-ethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 680593-30-0), with molecular formula C21H19BrN2O3S and molecular weight 458.03 g/mol. IUPAC: (5E)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-1-(3,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5E)-5-(5-bromo-2-ethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-5-(5-bromo-2-ethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 4.29594 indicates that (5E)-5-(5-bromo-2-ethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, (5E)-5-(5-bromo-2-ethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-5-(5-bromo-2-ethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 1 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 (5E)-5-(5-bromo-2-ethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-5-(5-bromo-2-ethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 680593-30-0.
What is the molecular formula of (5E)-5-(5-bromo-2-ethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-5-(5-bromo-2-ethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C21H19BrN2O3S.
What is the molecular weight of (5E)-5-(5-bromo-2-ethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-5-(5-bromo-2-ethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 458.03 g/mol.
Where can I buy (5E)-5-(5-bromo-2-ethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-5-(5-bromo-2-ethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-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-(5-bromo-2-ethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(5-bromo-2-ethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.