ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate
TL;DR: ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate (CAS 33369-27-6) is a chemical compound with molecular formula C20H22ClNO5 and molecular weight 391.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4-chlorobenzoyl)-2-(2-ethoxy-2-oxoethyl)-1,4-dimethylpyrrole-3-carboxylate
Also Known As: Ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate, ethyl5-3-1,4-dimethyl-1h-pyrrole-2-acetate, ethyl5- -3- -1,4-dimethyl-1H-pyrrole-2-acetate, ethyl 5-(4-chlorobenzoyl)-2-(2-ethoxy-2-oxoethyl)-1,4-dimethyl-1h-pyrrole-3-carboxylate, ethyl 5-(4-chlorobenzoyl)-2-(2-ethoxy-2-oxoethyl)-1,4-dimethylpyrrole-3-carboxylate
| Molecular Formula | C20H22ClNO5 |
|---|---|
| Molecular Weight | 391.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 391.11865 |
| Heavy Atoms | 27 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 33369-27-6 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C(=C(N1C)C(=O)C2=CC=C(C=C2)Cl)C)C(=O)OCC |
| InChIKey | NXCXUUSRXIDGRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate (CAS 33369-27-6), with molecular formula C20H22ClNO5 and molecular weight 391.12 g/mol. IUPAC: ethyl 5-(4-chlorobenzoyl)-2-(2-ethoxy-2-oxoethyl)-1,4-dimethylpyrrole-3-carboxylate.
Chemical Property Profile of ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate
Property Insights of ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate
The XLogP value of 3.7 indicates that ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate. Following Lipinski's Rule of Five, ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate has 0 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-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate?
The CAS number of ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate is 33369-27-6.
What is the molecular formula of ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate?
The molecular formula of ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate is C20H22ClNO5.
What is the molecular weight of ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate?
The molecular weight of ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate is 391.12 g/mol.
Where can I buy ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate?
You can request a quote for ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.