1-(2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethan-1-one
TL;DR: 1-(2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethan-1-one (CAS 852905-13-6) is a chemical compound with molecular formula C19H17FN2O4S and molecular weight 388.0893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(5-fluoro-2-nitrophenoxy)ethanone
Also Known As: 1-(2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethan-1-one, 1-{2,5-dimethyl-1-[(thiophen-2-yl)methyl]-1H-pyrrol-3-yl}-2-(5-fluoro-2-nitrophenoxy)ethan-1-one, 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(5-fluoro-2-nitrophenoxy)ethanone, Ethanone, 1-[2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrol-3-yl]-2-(5-fluoro-2-nitrophenoxy)-, G63033
Technical Specifications
| Molecular Formula | C19H17FN2O4S |
| Molecular Weight | 388.0893 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.0893 Da |
| Heavy Atoms | 27 |
| Complexity | 546.0 |
| SMILES | CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-] |
| InChIKey | RLMCPJZAAXUVLE-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethan-1-one
Property Insights of 1-(2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethan-1-one
The XLogP value of 4.1 indicates that 1-(2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethan-1-one. Following Lipinski's Rule of Five, 1-(2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethan-1-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethan-1-one?
The CAS number of 1-(2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethan-1-one is 852905-13-6.
What is the molecular formula of 1-(2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethan-1-one?
The molecular formula of 1-(2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethan-1-one is C19H17FN2O4S.
What is the molecular weight of 1-(2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethan-1-one?
The molecular weight of 1-(2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethan-1-one is 388.0893 g/mol.
Where can I buy 1-(2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethan-1-one?
You can request a quote for 1-(2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.