TL;DR: Methanone, (2-butyl-3-benzofuranyl)[5-[2-(diethylamino)ethoxy]-2-thienyl]- (CAS 128995-52-8) is a chemical compound with molecular formula C23H29NO3S and molecular weight 399.18683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-butyl-1-benzofuran-3-yl)-[5-[2-(diethylamino)ethoxy]thiophen-2-yl]methanone
Also Known As: J1.349.056B, E047/1, Methanone, (2-butyl-3-benzofuranyl)[5-[2-(diethylamino)ethoxy]-2-thienyl]-, (2-butylbenzofuran-3-yl)-[5-(2-diethylaminoethoxy)thiophen-2-yl]methanone, (2-Butylbenzofuran-3-yl)[5-[2-(diethylamino)ethoxy]-2-thienyl]methanone
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C23H29NO3S |
| Molecular Weight | 399.18683 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 70.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 399.18683 Da |
| Heavy Atoms | 28 |
| Complexity | 484.0 |
| SMILES | CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(S3)OCCN(CC)CC |
| InChIKey | YAKRKFCZKPDKHG-UHFFFAOYSA-N |
The XLogP value of 6.6 indicates that Methanone, (2-butyl-3-benzofuranyl)[5-[2-(diethylamino)ethoxy]-2-thienyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanone, (2-butyl-3-benzofuranyl)[5-[2-(diethylamino)ethoxy]-2-thienyl]-. Following Lipinski's Rule of Five, Methanone, (2-butyl-3-benzofuranyl)[5-[2-(diethylamino)ethoxy]-2-thienyl]- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Methanone, (2-butyl-3-benzofuranyl)[5-[2-(diethylamino)ethoxy]-2-thienyl]- is 128995-52-8.
The molecular formula of Methanone, (2-butyl-3-benzofuranyl)[5-[2-(diethylamino)ethoxy]-2-thienyl]- is C23H29NO3S.
The molecular weight of Methanone, (2-butyl-3-benzofuranyl)[5-[2-(diethylamino)ethoxy]-2-thienyl]- is 399.18683 g/mol.
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