Ethyl 3-(1H-pyrrol-2-yl)acrylate
TL;DR: Ethyl 3-(1H-pyrrol-2-yl)acrylate (CAS 2433-65-0) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1H-pyrrol-2-yl)prop-2-enoate
Also Known As: Ethyl 3-(1H-pyrrol-2-yl)acrylate, ethyl 3-(1H-pyrrol-2-yl)prop-2-enoate, Ethyl 3-(1H-pyrrol-2-yl)-2-propenoate, ethyl (2E)-3-(1H-pyrrol-2-yl)prop-2-enoate
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 2433-65-0 |
|---|---|
| SMILES | CCOC(=O)C=CC1=CC=CN1 |
| InChIKey | LRQXFCIRPHLXFH-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(1H-pyrrol-2-yl)acrylate (CAS 2433-65-0), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: ethyl 3-(1H-pyrrol-2-yl)prop-2-enoate.
Chemical Property Profile of Ethyl 3-(1H-pyrrol-2-yl)acrylate
Property Insights of Ethyl 3-(1H-pyrrol-2-yl)acrylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(1H-pyrrol-2-yl)acrylate. With a topological polar surface area (TPSA) of 42.1 Ų, Ethyl 3-(1H-pyrrol-2-yl)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(1H-pyrrol-2-yl)acrylate 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 3-(1H-pyrrol-2-yl)acrylate?
The CAS number of Ethyl 3-(1H-pyrrol-2-yl)acrylate is 2433-65-0.
What is the molecular formula of Ethyl 3-(1H-pyrrol-2-yl)acrylate?
The molecular formula of Ethyl 3-(1H-pyrrol-2-yl)acrylate is C9H11NO2.
What is the molecular weight of Ethyl 3-(1H-pyrrol-2-yl)acrylate?
The molecular weight of Ethyl 3-(1H-pyrrol-2-yl)acrylate is 165.08 g/mol.
Where can I buy Ethyl 3-(1H-pyrrol-2-yl)acrylate?
You can request a quote for Ethyl 3-(1H-pyrrol-2-yl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(1H-pyrrol-2-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1H-pyrrol-2-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.