TL;DR: 1-[3-(diethylamino)propyl]-5-(4-bromophenyl)-3-hydroxy-4-[(7-methoxybenzo[d]fu ran-2-yl)carbonyl]-3-pyrrolin-2-one (CAS 620930-08-7) is a chemical compound with molecular formula C27H29BrN2O5 and molecular weight 540.126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-bromophenyl)-1-[3-(diethylamino)propyl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
Also Known As: 1-[3-(diethylamino)propyl]-5-(4-bromophenyl)-3-hydroxy-4-[(7-methoxybenzo[d]fu ran-2-yl)carbonyl]-3-pyrrolin-2-one, 2-(4-bromophenyl)-1-[3-(diethylamino)propyl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one, 5-(4-bromophenyl)-1-(3-(diethylamino)propyl)-3-hydroxy-4-(7-methoxybenzofuran-2-carbonyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C27H29BrN2O5 |
| Molecular Weight | 540.126 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 540.126 Da |
| Heavy Atoms | 35 |
| Complexity | 792.0 |
| SMILES | CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CC=C(C=C4)Br |
| InChIKey | BRMDQHPXIGWMEZ-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 1-[3-(diethylamino)propyl]-5-(4-bromophenyl)-3-hydroxy-4-[(7-methoxybenzo[d]fu ran-2-yl)carbonyl]-3-pyrrolin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(diethylamino)propyl]-5-(4-bromophenyl)-3-hydroxy-4-[(7-methoxybenzo[d]fu ran-2-yl)carbonyl]-3-pyrrolin-2-one. Following Lipinski's Rule of Five, 1-[3-(diethylamino)propyl]-5-(4-bromophenyl)-3-hydroxy-4-[(7-methoxybenzo[d]fu ran-2-yl)carbonyl]-3-pyrrolin-2-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-[3-(diethylamino)propyl]-5-(4-bromophenyl)-3-hydroxy-4-[(7-methoxybenzo[d]fu ran-2-yl)carbonyl]-3-pyrrolin-2-one is 620930-08-7.
The molecular formula of 1-[3-(diethylamino)propyl]-5-(4-bromophenyl)-3-hydroxy-4-[(7-methoxybenzo[d]fu ran-2-yl)carbonyl]-3-pyrrolin-2-one is C27H29BrN2O5.
The molecular weight of 1-[3-(diethylamino)propyl]-5-(4-bromophenyl)-3-hydroxy-4-[(7-methoxybenzo[d]fu ran-2-yl)carbonyl]-3-pyrrolin-2-one is 540.126 g/mol.
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