TL;DR: ethyl (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate (CAS 100646-52-4) is a chemical compound with molecular formula C19H17ClN2O4 and molecular weight 372.08768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2S)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
Also Known As: Assure, (S)-Quizalofop ethyl, Quizalofop-P, (S)-quizalofop-ethyl, Brimonidine Impurity 46
| Molecular Formula | C19H17ClN2O4 |
| Molecular Weight | 372.08768 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 70.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.08768 Da |
| Heavy Atoms | 26 |
| Complexity | 459.0 |
| SMILES | CCOC(=O)[C@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl |
| InChIKey | OSUHJPCHFDQAIT-LBPRGKRZSA-N |
The XLogP value of 4.3 indicates that ethyl (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate. Following Lipinski's Rule of Five, ethyl (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate is 100646-52-4.
The molecular formula of ethyl (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate is C19H17ClN2O4.
The molecular weight of ethyl (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate is 372.08768 g/mol.
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