![1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone structure](/static/products/100/1002059-34-8.png)
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
TL;DR: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone (CAS 1002059-34-8) is a chemical compound with molecular formula C17H16F3NO2S and molecular weight 355.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
Also Known As: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
| Molecular Formula | C17H16F3NO2S |
|---|---|
| Molecular Weight | 355.09 g/mol |
| LogP | 4.82794 |
| Topological Polar Surface Area | 49.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.0854 |
| Heavy Atoms | 24 |
| Complexity | 793.6187 |
Chemical Identifiers
| CAS Number | 1002059-34-8 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=CC=CC(=C2)C(F)(F)F |
Product Overview
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone (CAS 1002059-34-8), with molecular formula C17H16F3NO2S and molecular weight 355.09 g/mol. IUPAC: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone.
Chemical Property Profile of 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
Property Insights of 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
The XLogP value of 4.82794 indicates that 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.93 Ų, 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone 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 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
The CAS number of 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone is 1002059-34-8.
What is the molecular formula of 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
The molecular formula of 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone is C17H16F3NO2S.
What is the molecular weight of 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
The molecular weight of 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone is 355.09 g/mol.
Where can I buy 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
You can request a quote for 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.