![(5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione structure](/static/products/714/714246-41-0.png)
(5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione (CAS 714246-41-0) is a chemical compound with molecular formula C19H13F4N3O2S and molecular weight 423.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-fluorophenyl)methyl]-6-hydroxy-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyrimidin-4-one
Also Known As: (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione, (5E)-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-5-[[3-(trifluoromethyl)anilino]methylidene]-1,3-diazinane-4,6-dione, (E)-1-(4-fluorobenzyl)-2-thioxo-5-(((3-(trifluoromethyl)phenyl)amino)methylene)dihydropyrimidine-4,6(1H,5H)-dione, 1-[(4-fluorophenyl)methyl]-2-sulfanylidene-5-[[3-(trifluoromethyl)anilino]methylidene]-1,3-diazinane-4,6-dione
| Molecular Formula | C19H13F4N3O2S |
|---|---|
| Molecular Weight | 423.07 g/mol |
| LogP | 4.56829 |
| Topological Polar Surface Area | 70.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.06647 |
| Heavy Atoms | 29 |
| Complexity | 1181.7843 |
Chemical Identifiers
| CAS Number | 714246-41-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N=CC2=C(N(C(=S)NC2=O)CC3=CC=C(C=C3)F)O)C(F)(F)F |
Product Overview
(5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione (CAS 714246-41-0), with molecular formula C19H13F4N3O2S and molecular weight 423.07 g/mol. IUPAC: 1-[(4-fluorophenyl)methyl]-6-hydroxy-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyrimidin-4-one.
Chemical Property Profile of (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione
The XLogP value of 4.56829 indicates that (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-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-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-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-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione is 714246-41-0.
What is the molecular formula of (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione is C19H13F4N3O2S.
What is the molecular weight of (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione is 423.07 g/mol.
Where can I buy (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-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-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(4-fluorobenzyl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.