5,5'-((4-fluorophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)
TL;DR: 5,5'-((4-fluorophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one) (CAS 573939-35-2) is a chemical compound with molecular formula C19H19FN4O4S2 and molecular weight 450.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-fluorophenyl)-(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)methyl]-6-hydroxy-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
Also Known As: 5,5'-((4-fluorophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one), 5,5'-[(4-fluorophenyl)methanediyl]bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one), 5-[(4-fluorophenyl)-(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)methyl]-6-hydroxy-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
| Molecular Formula | C19H19FN4O4S2 |
|---|---|
| Molecular Weight | 450.08 g/mol |
| LogP | 1.95048 |
| Topological Polar Surface Area | 94.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.08316 |
| Heavy Atoms | 30 |
| Complexity | 1315.483 |
Chemical Identifiers
| CAS Number | 573939-35-2 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=S)C)C(C2=CC=C(C=C2)F)C3=C(N(C(=S)N(C3=O)C)C)O)O |
Product Overview
5,5'-((4-fluorophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one) (CAS 573939-35-2), with molecular formula C19H19FN4O4S2 and molecular weight 450.08 g/mol. IUPAC: 5-[(4-fluorophenyl)-(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)methyl]-6-hydroxy-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5,5'-((4-fluorophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)
Property Insights of 5,5'-((4-fluorophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)
The XLogP value of 1.95048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5'-((4-fluorophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one). The TPSA of 94.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5'-((4-fluorophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one). Following Lipinski's Rule of Five, 5,5'-((4-fluorophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one) has 2 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 5,5'-((4-fluorophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)?
The CAS number of 5,5'-((4-fluorophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one) is 573939-35-2.
What is the molecular formula of 5,5'-((4-fluorophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)?
The molecular formula of 5,5'-((4-fluorophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one) is C19H19FN4O4S2.
What is the molecular weight of 5,5'-((4-fluorophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)?
The molecular weight of 5,5'-((4-fluorophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one) is 450.08 g/mol.
Where can I buy 5,5'-((4-fluorophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)?
You can request a quote for 5,5'-((4-fluorophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5'-((4-fluorophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)?
Yes, KEHONG BIO provides custom synthesis services for 5,5'-((4-fluorophenyl)methylene)bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.