![Ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate structure](/static/products/6872/6872-16-8.webp)
Ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate
TL;DR: Ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate (CAS 6872-16-8) is a chemical compound with molecular formula C27H23NO4S2 and molecular weight 489.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate
Also Known As: ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate, Ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxo-pyrrol-1-yl]benzoate, ethyl 2-{3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl}benzoate
| Molecular Formula | C27H23NO4S2 |
|---|---|
| Molecular Weight | 489.11 g/mol |
| LogP | 6.14954 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.10684 |
| Heavy Atoms | 34 |
| Complexity | 1211.2421 |
Chemical Identifiers
| CAS Number | 6872-16-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)SC4=CC=C(C=C4)C |
Product Overview
Ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate (CAS 6872-16-8), with molecular formula C27H23NO4S2 and molecular weight 489.11 g/mol. IUPAC: ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate.
Chemical Property Profile of Ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate
Property Insights of Ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate
The XLogP value of 6.14954 indicates that Ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate. Following Lipinski's Rule of Five, Ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate?
The CAS number of Ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate is 6872-16-8.
What is the molecular formula of Ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate?
The molecular formula of Ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate is C27H23NO4S2.
What is the molecular weight of Ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate?
The molecular weight of Ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate is 489.11 g/mol.
Where can I buy Ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate?
You can request a quote for Ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-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 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[3,4-bis[(4-methylphenyl)sulfanyl]-2,5-dioxopyrrol-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.