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Ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate
TL;DR: Ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate (CAS 500280-33-1) is a chemical compound with molecular formula C27H21N3O4S and molecular weight 483.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate
Also Known As: ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate, ethyl 4-(2,5-dioxo-3-((4-phenylquinazolin-2-yl)thio)pyrrolidin-1-yl)benzoate, Ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanyl-pyrrolidin-1-yl]benzoate, ethyl 4-{2,5-dioxo-3-[(4-phenylquinazolin-2-yl)sulfanyl]pyrrolidin-1-yl}benzoate
| Molecular Formula | C27H21N3O4S |
|---|---|
| Molecular Weight | 483.13 g/mol |
| LogP | 4.8977 |
| Topological Polar Surface Area | 89.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.12527 |
| Heavy Atoms | 35 |
| Complexity | 1423.833 |
Chemical Identifiers
| CAS Number | 500280-33-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5 |
Product Overview
Ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate (CAS 500280-33-1), with molecular formula C27H21N3O4S and molecular weight 483.13 g/mol. IUPAC: ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate.
Chemical Property Profile of Ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate
Property Insights of Ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate
The XLogP value of 4.8977 indicates that Ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate has 0 hydrogen bond donor(s) and 7 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-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate?
The CAS number of Ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate is 500280-33-1.
What is the molecular formula of Ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate?
The molecular formula of Ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate is C27H21N3O4S.
What is the molecular weight of Ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate?
The molecular weight of Ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate is 483.13 g/mol.
Where can I buy Ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate?
You can request a quote for Ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-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-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.