![[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-bromobenzoate structure](/static/products/5693/5693-76-5.webp)
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-bromobenzoate
TL;DR: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-bromobenzoate (CAS 5693-76-5) is a chemical compound with molecular formula C13H10BrNO3 and molecular weight 306.98 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] 2-bromobenzoate
Also Known As: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-bromobenzoate|2-Oxo-2-(1H-pyrrol-2-yl)ethyl 2-bromobenzoate
| Molecular Formula | C13H10BrNO3 |
|---|---|
| Molecular Weight | 306.98 g/mol |
| LogP | 2.8169 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.9844 |
| Heavy Atoms | 18 |
| Complexity | 563.3751 |
Chemical Identifiers
| CAS Number | 5693-76-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=CN2)Br |
Product Overview
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-bromobenzoate (CAS 5693-76-5), with molecular formula C13H10BrNO3 and molecular weight 306.98 g/mol. IUPAC: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-bromobenzoate.
Chemical Property Profile of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-bromobenzoate
Property Insights of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-bromobenzoate
The XLogP value of 2.8169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-bromobenzoate. With a topological polar surface area (TPSA) of 59.16 Ų, [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-bromobenzoate 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] 2-bromobenzoate?
The CAS number of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-bromobenzoate is 5693-76-5.
What is the molecular formula of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-bromobenzoate?
The molecular formula of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-bromobenzoate is C13H10BrNO3.
What is the molecular weight of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-bromobenzoate?
The molecular weight of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-bromobenzoate is 306.98 g/mol.
Where can I buy [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-bromobenzoate?
You can request a quote for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-bromobenzoate 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] 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.