Ethyl 2-pyrrol-1-ylacetate
TL;DR: Ethyl 2-pyrrol-1-ylacetate (CAS 5145-67-5) is a chemical compound with molecular formula C8H11NO2 and molecular weight 153.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-pyrrol-1-ylacetate
Also Known As: ethyl 1H-pyrrol-1-ylacetate, ethyl 2-pyrrol-1-ylacetate, ethyl 2-(1H-pyrrol-1-yl)acetate, 1-(ethoxycarbonylmethyl)pyrrole, Ethyl (1H-pyrrol-1-yl)acetate
| Molecular Formula | C8H11NO2 |
|---|---|
| Molecular Weight | 153.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 153.07898 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 5145-67-5 |
|---|---|
| SMILES | CCOC(=O)CN1C=CC=C1 |
| InChIKey | XNFYRQFECVTJBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-pyrrol-1-ylacetate (CAS 5145-67-5), with molecular formula C8H11NO2 and molecular weight 153.08 g/mol. IUPAC: ethyl 2-pyrrol-1-ylacetate.
Chemical Property Profile of Ethyl 2-pyrrol-1-ylacetate
Property Insights of Ethyl 2-pyrrol-1-ylacetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-pyrrol-1-ylacetate. With a topological polar surface area (TPSA) of 31.2 Ų, Ethyl 2-pyrrol-1-ylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-pyrrol-1-ylacetate has 0 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 2-pyrrol-1-ylacetate?
The CAS number of Ethyl 2-pyrrol-1-ylacetate is 5145-67-5.
What is the molecular formula of Ethyl 2-pyrrol-1-ylacetate?
The molecular formula of Ethyl 2-pyrrol-1-ylacetate is C8H11NO2.
What is the molecular weight of Ethyl 2-pyrrol-1-ylacetate?
The molecular weight of Ethyl 2-pyrrol-1-ylacetate is 153.08 g/mol.
Where can I buy Ethyl 2-pyrrol-1-ylacetate?
You can request a quote for Ethyl 2-pyrrol-1-ylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-pyrrol-1-ylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-pyrrol-1-ylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.