![[2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate structure](/static/products/5729/5729-75-9.webp)
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate
TL;DR: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate (CAS 5729-75-9) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate
Also Known As: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate|2-oxo-2-(1H-pyrrol-2-yl)ethyl benzoate|MLS000770211|SMR000373093
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 2.0544 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 502.72556 |
Chemical Identifiers
| CAS Number | 5729-75-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CN2 |
Product Overview
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate (CAS 5729-75-9), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate.
Chemical Property Profile of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate
Property Insights of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate
The XLogP value of 2.0544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate. With a topological polar surface area (TPSA) of 59.16 Ų, [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate 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 [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate?
The CAS number of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate is 5729-75-9.
What is the molecular formula of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate?
The molecular formula of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate is C13H11NO3.
What is the molecular weight of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate?
The molecular weight of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate is 229.07 g/mol.
Where can I buy [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate?
You can request a quote for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.