![(5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/845/845798-57-4.png)
(5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 845798-57-4) is a chemical compound with molecular formula C22H24N4O2S and molecular weight 408.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-1-(2-methylphenyl)-3-phenyl-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[(2-dimethylaminoethylamino)methylidene]-1-(2-methylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-5-(((2-(dimethylamino)ethyl)amino)methylene)-1-phenyl-2-thioxo-3-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione, 5-[(2-dimethylaminoethylamino)methylidene]-1-(2-methylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C22H24N4O2S |
|---|---|
| Molecular Weight | 408.16 g/mol |
| LogP | 3.35221 |
| Topological Polar Surface Area | 62.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.162 |
| Heavy Atoms | 29 |
| Complexity | 1147.7092 |
Chemical Identifiers
| CAS Number | 845798-57-4 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=C(C(=O)N(C2=S)C3=CC=CC=C3)C=NCCN(C)C)O |
Product Overview
(5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 845798-57-4), with molecular formula C22H24N4O2S and molecular weight 408.16 g/mol. IUPAC: 5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-1-(2-methylphenyl)-3-phenyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.35221 indicates that (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-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 (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-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 (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 845798-57-4.
What is the molecular formula of (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C22H24N4O2S.
What is the molecular weight of (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 408.16 g/mol.
Where can I buy (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-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 (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.