![(5Z)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/847/847175-93-3.png)
(5Z)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (5Z)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 847175-93-3) is a chemical compound with molecular formula C21H21BrN4O2S and molecular weight 472.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-3-phenyl-2-sulfanylidenepyrimidin-4-one
Also Known As: (5Z)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5Z)-1-(4-bromophenyl)-5-[(2-dimethylaminoethylamino)methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-1-(4-bromophenyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-(4-bromophenyl)-5-[(2-dimethylaminoethylamino)methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C21H21BrN4O2S |
|---|---|
| Molecular Weight | 472.06 g/mol |
| LogP | 3.80629 |
| Topological Polar Surface Area | 62.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.05685 |
| Heavy Atoms | 29 |
| Complexity | 1136.3281 |
Chemical Identifiers
| CAS Number | 847175-93-3 |
|---|---|
| SMILES | CN(C)CCN=CC1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)Br)O |
Product Overview
(5Z)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 847175-93-3), with molecular formula C21H21BrN4O2S and molecular weight 472.06 g/mol. IUPAC: 1-(4-bromophenyl)-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-3-phenyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5Z)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (5Z)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.80629 indicates that (5Z)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5Z)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-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)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (5Z)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 847175-93-3.
What is the molecular formula of (5Z)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5Z)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C21H21BrN4O2S.
What is the molecular weight of (5Z)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5Z)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 472.06 g/mol.
Where can I buy (5Z)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5Z)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-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 (5Z)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-1-(4-bromophenyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.