![ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate structure](/static/products/100/1001763-55-8.png)
ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate
TL;DR: ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate (CAS 1001763-55-8) is a chemical compound with molecular formula C22H25N3O5 and molecular weight 411.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate
Also Known As: ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate, F2741-0052, ethyl 5-(2-(4-acetylpiperazin-1-yl)-2-oxoacetyl)-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C22H25N3O5 |
|---|---|
| Molecular Weight | 411.18 g/mol |
| LogP | 2.04022 |
| Topological Polar Surface Area | 99.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1794 |
| Heavy Atoms | 30 |
| Complexity | 972.15924 |
Chemical Identifiers
| CAS Number | 1001763-55-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)N3CCN(CC3)C(=O)C)C |
Product Overview
ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate (CAS 1001763-55-8), with molecular formula C22H25N3O5 and molecular weight 411.18 g/mol. IUPAC: ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate
Property Insights of ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate
The XLogP value of 2.04022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate. The TPSA of 99.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate is 1001763-55-8.
What is the molecular formula of ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate is C22H25N3O5.
What is the molecular weight of ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate is 411.18 g/mol.
Where can I buy ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.