![(5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione structure](/static/products/714/714255-22-8.png)
(5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 714255-22-8) is a chemical compound with molecular formula C16H15ClF3N3O2S and molecular weight 405.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-5-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-1-butyl-5-[[2-chloro-5-(trifluoromethyl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-1-butyl-5-(((2-chloro-5-(trifluoromethyl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-butyl-5-[[2-chloro-5-(trifluoromethyl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C16H15ClF3N3O2S |
|---|---|
| Molecular Weight | 405.05 g/mol |
| LogP | 4.83439 |
| Topological Polar Surface Area | 70.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.05255 |
| Heavy Atoms | 26 |
| Complexity | 951.222 |
Chemical Identifiers
| CAS Number | 714255-22-8 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)NC1=S)C=NC2=C(C=CC(=C2)C(F)(F)F)Cl)O |
Product Overview
(5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 714255-22-8), with molecular formula C16H15ClF3N3O2S and molecular weight 405.05 g/mol. IUPAC: 1-butyl-5-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
The XLogP value of 4.83439 indicates that (5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione has 2 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)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 714255-22-8.
What is the molecular formula of (5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione is C16H15ClF3N3O2S.
What is the molecular weight of (5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 405.05 g/mol.
Where can I buy (5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-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)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.