Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate
TL;DR: Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate (CAS 65117-64-8) is a chemical compound with molecular formula C13H12ClNO2 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate
Also Known As: Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate, NCI60_021653, ethyl 5-(p-chlorophenyl)pyrrole-2-carboxylate, ethyl 5-(p-chlorophenyl)-pyrrole-2-carboxylate, 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylic acid ethyl ester
| Molecular Formula | C13H12ClNO2 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.05565 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 65117-64-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(N1)C2=CC=C(C=C2)Cl |
| InChIKey | LPOQYIAWZPQUSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate (CAS 65117-64-8), with molecular formula C13H12ClNO2 and molecular weight 249.06 g/mol. IUPAC: ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate
Property Insights of Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate
The XLogP value of 3.6 indicates that Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 2 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-chlorophenyl)-1H-pyrrole-2-carboxylate?
The CAS number of Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate is 65117-64-8.
What is the molecular formula of Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate?
The molecular formula of Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate is C13H12ClNO2.
What is the molecular weight of Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate?
The molecular weight of Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate is 249.06 g/mol.
Where can I buy Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate?
You can request a quote for Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-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-(4-chlorophenyl)-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.