![2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate structure](/static/products/7841/784161-66-6.webp)
2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate
TL;DR: 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate (CAS 784161-66-6) is a chemical compound with molecular formula C26H26N2O6S and molecular weight 494.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
Also Known As: 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate, [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate, 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-(3,4-dihydroquinoline-1(2H)-sulfonyl)benzoate
| Molecular Formula | C26H26N2O6S |
|---|---|
| Molecular Weight | 494.15 g/mol |
| LogP | 4.01534 |
| Topological Polar Surface Area | 113.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.15115 |
| Heavy Atoms | 35 |
| Complexity | 1420.5188 |
Chemical Identifiers
| CAS Number | 784161-66-6 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43 |
Product Overview
2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate (CAS 784161-66-6), with molecular formula C26H26N2O6S and molecular weight 494.15 g/mol. IUPAC: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate.
Chemical Property Profile of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate
Property Insights of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate
The XLogP value of 4.01534 indicates that 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate. Following Lipinski's Rule of Five, 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate has 1 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 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate?
The CAS number of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate is 784161-66-6.
What is the molecular formula of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate?
The molecular formula of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate is C26H26N2O6S.
What is the molecular weight of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate?
The molecular weight of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate is 494.15 g/mol.
Where can I buy 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate?
You can request a quote for 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.