ethyl 5-(4-chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetate
TL;DR: ethyl 5-(4-chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetate (CAS 33369-43-6) is a chemical compound with molecular formula C18H20ClNO3 and molecular weight 333.11316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]propanoate
Also Known As: Ethyl 5-(4-chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetate, ethyl 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-1h-pyrrol-2-yl]propanoate, ethyl 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]propanoate, ethyl 5-(p-chlorobenzoyl)-1,4,alpha-trimethylpyrrole-2-acetate, ethyl 5-(p-chlorobenzoyl)1,4,alpha-trimethylpyrrole-2-acetate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H20ClNO3 |
| Molecular Weight | 333.11316 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.11316 Da |
| Heavy Atoms | 23 |
| Complexity | 434.0 |
| SMILES | CCOC(=O)C(C)C1=CC(=C(N1C)C(=O)C2=CC=C(C=C2)Cl)C |
| InChIKey | GYRBPBBVYDCYPC-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 5-(4-chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetate
Property Insights of ethyl 5-(4-chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetate
The XLogP value of 4.1 indicates that ethyl 5-(4-chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, ethyl 5-(4-chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-(4-chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl 5-(4-chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetate?
The CAS number of ethyl 5-(4-chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetate is 33369-43-6.
What is the molecular formula of ethyl 5-(4-chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetate?
The molecular formula of ethyl 5-(4-chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetate is C18H20ClNO3.
What is the molecular weight of ethyl 5-(4-chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetate?
The molecular weight of ethyl 5-(4-chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetate is 333.11316 g/mol.
Where can I buy ethyl 5-(4-chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetate?
You can request a quote for ethyl 5-(4-chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 5-(4-chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetate?
Yes, CoreyChem provides custom synthesis services for ethyl 5-(4-chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.