TL;DR: [2-[4-[(2-Butylbenzofuran-3-yl)carbonyl]-2,6-diiodophenoxy]ethyl]diethylaminium (CAS 135048-43-0) is a chemical compound with molecular formula C25H30I2NO3+ and molecular weight 646.0315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl-diethylazanium
Also Known As: [2-[4-[(2-Butylbenzofuran-3-yl)carbonyl]-2,6-diiodophenoxy]ethyl]diethylaminium|2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl-diethylazanium|2-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodo-phenoxy]ethyl-diethyl-azanium
| Molecular Formula | C25H30I2NO3+ |
| Molecular Weight | 646.0315 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 43.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 646.0315 Da |
| Heavy Atoms | 31 |
| Complexity | 547.0 |
| SMILES | CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC[NH+](CC)CC)I |
| InChIKey | IYIKLHRQXLHMJQ-UHFFFAOYSA-O |
The XLogP value of 7.6 indicates that [2-[4-[(2-Butylbenzofuran-3-yl)carbonyl]-2,6-diiodophenoxy]ethyl]diethylaminium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.9 Ų, [2-[4-[(2-Butylbenzofuran-3-yl)carbonyl]-2,6-diiodophenoxy]ethyl]diethylaminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-[4-[(2-Butylbenzofuran-3-yl)carbonyl]-2,6-diiodophenoxy]ethyl]diethylaminium has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [2-[4-[(2-Butylbenzofuran-3-yl)carbonyl]-2,6-diiodophenoxy]ethyl]diethylaminium is 135048-43-0.
The molecular formula of [2-[4-[(2-Butylbenzofuran-3-yl)carbonyl]-2,6-diiodophenoxy]ethyl]diethylaminium is C25H30I2NO3+.
The molecular weight of [2-[4-[(2-Butylbenzofuran-3-yl)carbonyl]-2,6-diiodophenoxy]ethyl]diethylaminium is 646.0315 g/mol.
You can request a quote for [2-[4-[(2-Butylbenzofuran-3-yl)carbonyl]-2,6-diiodophenoxy]ethyl]diethylaminium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Yes, CoreyChem provides custom synthesis services for [2-[4-[(2-Butylbenzofuran-3-yl)carbonyl]-2,6-diiodophenoxy]ethyl]diethylaminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.
Request a quote for CAS 135048-43-0. Our professional technical team will respond with pricing and lead time.