ethyl 2-(1H-pyrrol-2-yl)acetate
TL;DR: ethyl 2-(1H-pyrrol-2-yl)acetate (CAS 5441-30-5) 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-(1H-pyrrol-2-yl)acetate
Also Known As: ethyl 2-(1H-pyrrol-2-yl)acetate, ethyl 1H-pyrrol-2-ylacetate, carbethoxymethylpyrrole, Ethyl 1H-pyrrole-2-propanate, Ethyl (1H-pyrrol-2-yl)acetate
| Molecular Formula | C8H11NO2 |
|---|---|
| Molecular Weight | 153.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 153.07898 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 5441-30-5 |
|---|---|
| SMILES | CCOC(=O)CC1=CC=CN1 |
| InChIKey | BSQHTIJMZDDKAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 2-(1H-pyrrol-2-yl)acetate (CAS 5441-30-5), with molecular formula C8H11NO2 and molecular weight 153.08 g/mol. IUPAC: ethyl 2-(1H-pyrrol-2-yl)acetate.
Chemical Property Profile of ethyl 2-(1H-pyrrol-2-yl)acetate
Property Insights of ethyl 2-(1H-pyrrol-2-yl)acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(1H-pyrrol-2-yl)acetate. With a topological polar surface area (TPSA) of 42.1 Ų, ethyl 2-(1H-pyrrol-2-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(1H-pyrrol-2-yl)acetate 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 2-(1H-pyrrol-2-yl)acetate?
The CAS number of ethyl 2-(1H-pyrrol-2-yl)acetate is 5441-30-5.
What is the molecular formula of ethyl 2-(1H-pyrrol-2-yl)acetate?
The molecular formula of ethyl 2-(1H-pyrrol-2-yl)acetate is C8H11NO2.
What is the molecular weight of ethyl 2-(1H-pyrrol-2-yl)acetate?
The molecular weight of ethyl 2-(1H-pyrrol-2-yl)acetate is 153.08 g/mol.
Where can I buy ethyl 2-(1H-pyrrol-2-yl)acetate?
You can request a quote for ethyl 2-(1H-pyrrol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(1H-pyrrol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(1H-pyrrol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.