![(5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione structure](/static/products/674/674812-98-7.png)
(5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 674812-98-7) is a chemical compound with molecular formula C21H21FN4O3S and molecular weight 428.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]iminomethyl]-1-(4-fluorophenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-5-[[4-[ethyl(2-hydroxyethyl)amino]anilino]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-5-(((4-(ethyl(2-hydroxyethyl)amino)phenyl)amino)methylene)-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[4-[ethyl(2-hydroxyethyl)amino]anilino]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C21H21FN4O3S |
|---|---|
| Molecular Weight | 428.13 g/mol |
| LogP | 3.30899 |
| Topological Polar Surface Area | 93.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.13184 |
| Heavy Atoms | 30 |
| Complexity | 1154.8544 |
Chemical Identifiers
| CAS Number | 674812-98-7 |
|---|---|
| SMILES | CCN(CCO)C1=CC=C(C=C1)N=CC2=C(N(C(=S)NC2=O)C3=CC=C(C=C3)F)O |
Product Overview
(5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 674812-98-7), with molecular formula C21H21FN4O3S and molecular weight 428.13 g/mol. IUPAC: 5-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]iminomethyl]-1-(4-fluorophenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.30899 indicates that (5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione has 3 hydrogen bond donor(s) and 6 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-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 674812-98-7.
What is the molecular formula of (5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione is C21H21FN4O3S.
What is the molecular weight of (5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 428.13 g/mol.
Where can I buy (5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-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-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.