![3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione structure](/static/products/878/878972-53-3.png)
3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione
TL;DR: 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione (CAS 878972-53-3) is a chemical compound with molecular formula C19H20ClN3O4S and molecular weight 421.09 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-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione
Also Known As: 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione, 3-((5-butyl-4,6-dihydroxypyrimidin-2-yl)thio)-1-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione, 3-(5-butyl-4,6-dihydroxypyrimidin-2-ylthio)-1-(5-chloro-2-methylphenyl)azolidi ne-2,5-dione, 3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione
| Molecular Formula | C19H20ClN3O4S |
|---|---|
| Molecular Weight | 421.09 g/mol |
| LogP | 3.20412 |
| Topological Polar Surface Area | 103.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.0863 |
| Heavy Atoms | 28 |
| Complexity | 991.6294 |
Chemical Identifiers
| CAS Number | 878972-53-3 |
|---|---|
| SMILES | CCCCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=C(C=CC(=C3)Cl)C)O |
Product Overview
3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione (CAS 878972-53-3), with molecular formula C19H20ClN3O4S and molecular weight 421.09 g/mol. IUPAC: 3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione.
Chemical Property Profile of 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione
Property Insights of 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione
The XLogP value of 3.20412 indicates that 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione. Following Lipinski's Rule of Five, 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione?
The CAS number of 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione is 878972-53-3.
What is the molecular formula of 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione?
The molecular formula of 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione is C19H20ClN3O4S.
What is the molecular weight of 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione?
The molecular weight of 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione is 421.09 g/mol.
Where can I buy 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione?
You can request a quote for 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(5-chloro-2-methylphenyl)pyrrolidine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.