![[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,6-difluorobenzoate structure](/static/products/7330/733033-55-1.webp)
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,6-difluorobenzoate
TL;DR: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,6-difluorobenzoate (CAS 733033-55-1) is a chemical compound with molecular formula C13H9F2NO3 and molecular weight 265.06 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] 2,6-difluorobenzoate
Also Known As: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,6-difluorobenzoate|2-oxo-2-(1H-pyrrol-2-yl)ethyl 2,6-difluorobenzoate|MLS001033172|SMR000363693
| Molecular Formula | C13H9F2NO3 |
|---|---|
| Molecular Weight | 265.06 g/mol |
| LogP | 2.3326 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.05505 |
| Heavy Atoms | 19 |
| Complexity | 588.10583 |
Chemical Identifiers
| CAS Number | 733033-55-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C(=O)OCC(=O)C2=CC=CN2)F |
Product Overview
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,6-difluorobenzoate (CAS 733033-55-1), with molecular formula C13H9F2NO3 and molecular weight 265.06 g/mol. IUPAC: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,6-difluorobenzoate.
Chemical Property Profile of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,6-difluorobenzoate
Property Insights of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,6-difluorobenzoate
The XLogP value of 2.3326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,6-difluorobenzoate. With a topological polar surface area (TPSA) of 59.16 Ų, [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,6-difluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,6-difluorobenzoate 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] 2,6-difluorobenzoate?
The CAS number of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,6-difluorobenzoate is 733033-55-1.
What is the molecular formula of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,6-difluorobenzoate?
The molecular formula of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,6-difluorobenzoate is C13H9F2NO3.
What is the molecular weight of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,6-difluorobenzoate?
The molecular weight of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,6-difluorobenzoate is 265.06 g/mol.
Where can I buy [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,6-difluorobenzoate?
You can request a quote for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,6-difluorobenzoate 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] 2,6-difluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,6-difluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.