![ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate structure](/static/products/6748/674816-52-5.webp)
ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate
TL;DR: ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate (CAS 674816-52-5) is a chemical compound with molecular formula C21H23N3O6S and molecular weight 445.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate, ethyl 4-(3-((5-butyl-4,6-dihydroxypyrimidin-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate, ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)thio]-2,5-dioxopyrrolidin-1-yl}benzoate, ethyl 4-[3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl]benzoate, ethyl 4-{3-[(5-butyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate
| Molecular Formula | C21H23N3O6S |
|---|---|
| Molecular Weight | 445.13 g/mol |
| LogP | 2.419 |
| Topological Polar Surface Area | 129.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.13077 |
| Heavy Atoms | 31 |
| Complexity | 1050.0709 |
Chemical Identifiers
| CAS Number | 674816-52-5 |
|---|---|
| SMILES | CCCCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC)O |
Product Overview
ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate (CAS 674816-52-5), with molecular formula C21H23N3O6S and molecular weight 445.13 g/mol. IUPAC: ethyl 4-[3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate
Property Insights of ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate
The XLogP value of 2.419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate. The TPSA of 129.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate. Following Lipinski's Rule of Five, ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate has 2 hydrogen bond donor(s) and 8 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 ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate?
The CAS number of ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate is 674816-52-5.
What is the molecular formula of ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate?
The molecular formula of ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate is C21H23N3O6S.
What is the molecular weight of ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate?
The molecular weight of ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate is 445.13 g/mol.
Where can I buy ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate?
You can request a quote for ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.