2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethanone
TL;DR: 2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethanone (CAS 113768-63-1) is a chemical compound with molecular formula C13H10F3NO and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-[5-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone
Also Known As: BAS 01184077, 2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethan-1-one, 2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethanone, 2,2,2-trifluoro-1-[5-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone, F0347-4523
| Molecular Formula | C13H10F3NO |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 3.73512 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.07144 |
| Heavy Atoms | 18 |
| Complexity | 566.6674 |
Chemical Identifiers
| CAS Number | 113768-63-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC=C(N2)C(=O)C(F)(F)F |
Product Overview
2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethanone (CAS 113768-63-1), with molecular formula C13H10F3NO and molecular weight 253.07 g/mol. IUPAC: 2,2,2-trifluoro-1-[5-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone.
Chemical Property Profile of 2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethanone
Property Insights of 2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethanone
The XLogP value of 3.73512 indicates that 2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.86 Ų, 2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethanone has 1 hydrogen bond donor(s) and 1 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 2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethanone?
The CAS number of 2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethanone is 113768-63-1.
What is the molecular formula of 2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethanone?
The molecular formula of 2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethanone is C13H10F3NO.
What is the molecular weight of 2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethanone?
The molecular weight of 2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethanone is 253.07 g/mol.
Where can I buy 2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethanone?
You can request a quote for 2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trifluoro-1-(5-(p-tolyl)-1H-pyrrol-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.