![[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate structure](/static/products/852/852942-80-4.png)
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
TL;DR: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate (CAS 852942-80-4) is a chemical compound with molecular formula C21H26N2O6S and molecular weight 434.15 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] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
Also Known As: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate|2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl N-(3,4-dimethylbenzene-1-sulfonyl)-beta-alaninate|MLS002245979|SMR001309607
| Molecular Formula | C21H26N2O6S |
|---|---|
| Molecular Weight | 434.15 g/mol |
| LogP | 2.54548 |
| Topological Polar Surface Area | 122.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 434.15115 |
| Heavy Atoms | 30 |
| Complexity | 1098.9402 |
Chemical Identifiers
| CAS Number | 852942-80-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C)C |
Product Overview
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate (CAS 852942-80-4), with molecular formula C21H26N2O6S and molecular weight 434.15 g/mol. IUPAC: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate.
Chemical Property Profile of [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
Property Insights of [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
The XLogP value of 2.54548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate. The TPSA of 122.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate. Following Lipinski's Rule of Five, [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate 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 [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate?
The CAS number of [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate is 852942-80-4.
What is the molecular formula of [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate?
The molecular formula of [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate is C21H26N2O6S.
What is the molecular weight of [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate?
The molecular weight of [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate is 434.15 g/mol.
Where can I buy [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate?
You can request a quote for [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate 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] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.