![(5E)-1-(4-fluorobenzyl)-5-{[(3-fluorophenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione structure](/static/products/577/577697-28-0.png)
(5E)-1-(4-fluorobenzyl)-5-{[(3-fluorophenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-1-(4-fluorobenzyl)-5-{[(3-fluorophenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 577697-28-0) is a chemical compound with molecular formula C18H13F2N3O2S and molecular weight 373.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-fluorophenyl)iminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-1-(4-fluorobenzyl)-5-{[(3-fluorophenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-5-[(3-fluoroanilino)methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-1-(4-fluorobenzyl)-5-(((3-fluorophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(3-fluoroanilino)methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C18H13F2N3O2S |
|---|---|
| Molecular Weight | 373.07 g/mol |
| LogP | 3.68859 |
| Topological Polar Surface Area | 70.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.06964 |
| Heavy Atoms | 26 |
| Complexity | 1088.8257 |
Chemical Identifiers
| CAS Number | 577697-28-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)N=CC2=C(N(C(=S)NC2=O)CC3=CC=C(C=C3)F)O |
Product Overview
(5E)-1-(4-fluorobenzyl)-5-{[(3-fluorophenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 577697-28-0), with molecular formula C18H13F2N3O2S and molecular weight 373.07 g/mol. IUPAC: 5-[(3-fluorophenyl)iminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-1-(4-fluorobenzyl)-5-{[(3-fluorophenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-1-(4-fluorobenzyl)-5-{[(3-fluorophenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.68859 indicates that (5E)-1-(4-fluorobenzyl)-5-{[(3-fluorophenyl)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-(4-fluorobenzyl)-5-{[(3-fluorophenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5E)-1-(4-fluorobenzyl)-5-{[(3-fluorophenyl)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-(4-fluorobenzyl)-5-{[(3-fluorophenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-1-(4-fluorobenzyl)-5-{[(3-fluorophenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 577697-28-0.
What is the molecular formula of (5E)-1-(4-fluorobenzyl)-5-{[(3-fluorophenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-1-(4-fluorobenzyl)-5-{[(3-fluorophenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione is C18H13F2N3O2S.
What is the molecular weight of (5E)-1-(4-fluorobenzyl)-5-{[(3-fluorophenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-1-(4-fluorobenzyl)-5-{[(3-fluorophenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 373.07 g/mol.
Where can I buy (5E)-1-(4-fluorobenzyl)-5-{[(3-fluorophenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-1-(4-fluorobenzyl)-5-{[(3-fluorophenyl)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-(4-fluorobenzyl)-5-{[(3-fluorophenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(4-fluorobenzyl)-5-{[(3-fluorophenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.