ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate
TL;DR: ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate (CAS 169376-35-6) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate
Also Known As: ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate, ETHYL-2-PYRROLOYL-ACETATE, 1,3-Bis(maleimide)propane, ethyl 3-oxo-3-(2-pyrrolyl)propanoate, 1H-Pyrrole-2-propanoicacid, b-oxo-, ethyl ester
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 169376-35-6 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=CC=CN1 |
| InChIKey | GPNOESMCLCQOBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate (CAS 169376-35-6), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate.
Chemical Property Profile of ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate
Property Insights of ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate. With a topological polar surface area (TPSA) of 59.2 Ų, ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate has 1 hydrogen bond donor(s) and 3 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-oxo-3-(1H-pyrrol-2-yl)propanoate?
The CAS number of ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate is 169376-35-6.
What is the molecular formula of ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate?
The molecular formula of ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate is C9H11NO3.
What is the molecular weight of ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate?
The molecular weight of ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate is 181.07 g/mol.
Where can I buy ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate?
You can request a quote for ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.