![3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione structure](/static/products/833/833439-22-8.png)
3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione
TL;DR: 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione (CAS 833439-22-8) is a chemical compound with molecular formula C18H17ClFN3O4S and molecular weight 425.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione
Also Known As: 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione, 3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione, 3-(5-butyl-4,6-dihydroxypyrimidin-2-ylthio)-1-(3-chloro-4-fluorophenyl)azolidi ne-2,5-dione
| Molecular Formula | C18H17ClFN3O4S |
|---|---|
| Molecular Weight | 425.06 g/mol |
| LogP | 3.0348 |
| Topological Polar Surface Area | 103.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.06122 |
| Heavy Atoms | 28 |
| Complexity | 997.2814 |
Chemical Identifiers
| CAS Number | 833439-22-8 |
|---|---|
| SMILES | CCCCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)O |
Product Overview
3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione (CAS 833439-22-8), with molecular formula C18H17ClFN3O4S and molecular weight 425.06 g/mol. IUPAC: 3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione.
Chemical Property Profile of 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione
Property Insights of 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione
The XLogP value of 3.0348 indicates that 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione. Following Lipinski's Rule of Five, 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione 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 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione?
The CAS number of 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione is 833439-22-8.
What is the molecular formula of 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione?
The molecular formula of 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione is C18H17ClFN3O4S.
What is the molecular weight of 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione?
The molecular weight of 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione is 425.06 g/mol.
Where can I buy 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione?
You can request a quote for 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.