![1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone structure](/static/products/866/866008-61-9.png)
1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone
TL;DR: 1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone (CAS 866008-61-9) is a chemical compound with molecular formula C19H20F3NO2 and molecular weight 351.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,5-dimethyl-1-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyrrol-3-yl]-2,2,2-trifluoroethanone
Also Known As: 1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone, 1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoroethan-1-one, 1-[2,5-dimethyl-1-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyrrol-3-yl]-2,2,2-trifluoroethanone, 1-[2,5-dimethyl-1-(2,2,4-trimethyl-3H-benzofuran-7-yl)pyrrol-3-yl]-2,2,2-trifluoro-ethanone, C19H20F3NO2
| Molecular Formula | C19H20F3NO2 |
|---|---|
| Molecular Weight | 351.14 g/mol |
| LogP | 4.86106 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.14462 |
| Heavy Atoms | 25 |
| Complexity | 875.76996 |
Chemical Identifiers
| CAS Number | 866008-61-9 |
|---|---|
| SMILES | CC1=C2CC(OC2=C(C=C1)N3C(=CC(=C3C)C(=O)C(F)(F)F)C)(C)C |
Product Overview
1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone (CAS 866008-61-9), with molecular formula C19H20F3NO2 and molecular weight 351.14 g/mol. IUPAC: 1-[2,5-dimethyl-1-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyrrol-3-yl]-2,2,2-trifluoroethanone.
Chemical Property Profile of 1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone
Property Insights of 1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone
The XLogP value of 4.86106 indicates that 1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.23 Ų, 1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone has 0 hydrogen bond donor(s) and 2 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-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone?
The CAS number of 1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone is 866008-61-9.
What is the molecular formula of 1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone?
The molecular formula of 1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone is C19H20F3NO2.
What is the molecular weight of 1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone?
The molecular weight of 1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone is 351.14 g/mol.
Where can I buy 1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone?
You can request a quote for 1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[2,5-dimethyl-1-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.