ethyl 5-benzoyl-2-(4-chloroanilino)-1H-pyrrole-3-carboxylate
TL;DR: ethyl 5-benzoyl-2-(4-chloroanilino)-1H-pyrrole-3-carboxylate (CAS 122380-02-3) is a chemical compound with molecular formula C20H17ClN2O3 and molecular weight 368.09277 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-benzoyl-2-(4-chloroanilino)-1H-pyrrole-3-carboxylate
Also Known As: Bionet1_000899, ethyl 5-benzoyl-2-(4-chloroanilino)-1H-pyrrole-3-carboxylate, ethyl 5-benzoyl-2-[(4-chlorophenyl)amino]-1H-pyrrole-3-carboxylate, 8F-925, ethyl5-benzoyl-2-[(4-chlorophenyl)amino]-1H-pyrrole-3-carboxylate
Technical Specifications
| Molecular Formula | C20H17ClN2O3 |
| Molecular Weight | 368.09277 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 71.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.09277 Da |
| Heavy Atoms | 26 |
| Complexity | 487.0 |
| SMILES | CCOC(=O)C1=C(NC(=C1)C(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)Cl |
| InChIKey | JXKLQLBFCDYDBF-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 5-benzoyl-2-(4-chloroanilino)-1H-pyrrole-3-carboxylate
Property Insights of ethyl 5-benzoyl-2-(4-chloroanilino)-1H-pyrrole-3-carboxylate
The XLogP value of 5.7 indicates that ethyl 5-benzoyl-2-(4-chloroanilino)-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-benzoyl-2-(4-chloroanilino)-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-benzoyl-2-(4-chloroanilino)-1H-pyrrole-3-carboxylate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ethyl 5-benzoyl-2-(4-chloroanilino)-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 5-benzoyl-2-(4-chloroanilino)-1H-pyrrole-3-carboxylate is 122380-02-3.
What is the molecular formula of ethyl 5-benzoyl-2-(4-chloroanilino)-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 5-benzoyl-2-(4-chloroanilino)-1H-pyrrole-3-carboxylate is C20H17ClN2O3.
What is the molecular weight of ethyl 5-benzoyl-2-(4-chloroanilino)-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 5-benzoyl-2-(4-chloroanilino)-1H-pyrrole-3-carboxylate is 368.09277 g/mol.
Where can I buy ethyl 5-benzoyl-2-(4-chloroanilino)-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 5-benzoyl-2-(4-chloroanilino)-1H-pyrrole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 5-benzoyl-2-(4-chloroanilino)-1H-pyrrole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 5-benzoyl-2-(4-chloroanilino)-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.