5-(((2-ethoxyphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-(((2-ethoxyphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione (CAS 896816-63-0) is a chemical compound with molecular formula C27H25N3O3S and molecular weight 471.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-ethoxyphenyl)iminomethyl]-6-hydroxy-1,3-bis(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-(((2-ethoxyphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione, 5-[(2-ethoxyanilino)methylidene]-1,3-bis(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-{[(2-ethoxyphenyl)amino]methylidene}-1,3-bis(2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C27H25N3O3S |
|---|---|
| Molecular Weight | 471.16 g/mol |
| LogP | 5.82943 |
| Topological Polar Surface Area | 68.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.16165 |
| Heavy Atoms | 34 |
| Complexity | 1501.9719 |
Chemical Identifiers
| CAS Number | 896816-63-0 |
|---|---|
| SMILES | CCOC1=CC=CC=C1N=CC2=C(N(C(=S)N(C2=O)C3=CC=CC=C3C)C4=CC=CC=C4C)O |
Product Overview
5-(((2-ethoxyphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione (CAS 896816-63-0), with molecular formula C27H25N3O3S and molecular weight 471.16 g/mol. IUPAC: 5-[(2-ethoxyphenyl)iminomethyl]-6-hydroxy-1,3-bis(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5-(((2-ethoxyphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-(((2-ethoxyphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 5.82943 indicates that 5-(((2-ethoxyphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(((2-ethoxyphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 5-(((2-ethoxyphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(((2-ethoxyphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-(((2-ethoxyphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione is 896816-63-0.
What is the molecular formula of 5-(((2-ethoxyphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-(((2-ethoxyphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione is C27H25N3O3S.
What is the molecular weight of 5-(((2-ethoxyphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-(((2-ethoxyphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione is 471.16 g/mol.
Where can I buy 5-(((2-ethoxyphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-(((2-ethoxyphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-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 5-(((2-ethoxyphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(((2-ethoxyphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.