TL;DR: 3-Methoxy-alpha-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)chalcone (CAS 15288-31-0) is a chemical compound with molecular formula C28H29NO3 and molecular weight 427.21475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(3-methoxyphenyl)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one
Also Known As: 3-Methoxy-alpha-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)chalcone, 3-(m-Methoxyphenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)acrylophenone, 3-m-Methoxyphenyl-2-phenyl-4'-beta-pyrrolidinoethoxyacrylophenone, Chalcone, 3-methoxy-alpha-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)-, (E)-3-(3-methoxyphenyl)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one
| Molecular Formula | C28H29NO3 |
| Molecular Weight | 427.21475 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 427.21475 Da |
| Heavy Atoms | 32 |
| Complexity | 598.0 |
| SMILES | COC1=CC=CC(=C1)/C=C(\C2=CC=CC=C2)/C(=O)C3=CC=C(C=C3)OCCN4CCCC4 |
| InChIKey | MTQWJFCEUWQEDF-SZXQPVLSSA-N |
The XLogP value of 5.8 indicates that 3-Methoxy-alpha-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)chalcone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 3-Methoxy-alpha-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)chalcone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-alpha-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)chalcone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-Methoxy-alpha-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)chalcone is 15288-31-0.
The molecular formula of 3-Methoxy-alpha-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)chalcone is C28H29NO3.
The molecular weight of 3-Methoxy-alpha-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)chalcone is 427.21475 g/mol.
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