TL;DR: 3-(4-Methoxyphenyl)-8H-thieno[2,3-b]pyrrolizin-8-one (CAS 156862-28-1) is a chemical compound with molecular formula C16H11NO2S and molecular weight 281.05106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methoxyphenyl)thieno[2,3-b]pyrrolizin-8-one
Also Known As: 3-(4-Methoxyphenyl)-8H-thieno[2,3-b]pyrrolizin-8-one, MR 16924, 8H-Thieno[2, 3-(4-methoxyphenyl)-, NCI60_027176, 3-(4-methoxyphenyl)thieno[2,3-b]pyrrolizin-8-one
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H11NO2S |
| Molecular Weight | 281.05106 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.05106 Da |
| Heavy Atoms | 20 |
| Complexity | 394.0 |
| SMILES | COC1=CC=C(C=C1)C2=CSC3=C2N4C=CC=C4C3=O |
| InChIKey | STBQKICVQXGVLM-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 3-(4-Methoxyphenyl)-8H-thieno[2,3-b]pyrrolizin-8-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.5 Ų, 3-(4-Methoxyphenyl)-8H-thieno[2,3-b]pyrrolizin-8-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxyphenyl)-8H-thieno[2,3-b]pyrrolizin-8-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-Methoxyphenyl)-8H-thieno[2,3-b]pyrrolizin-8-one is 156862-28-1.
The molecular formula of 3-(4-Methoxyphenyl)-8H-thieno[2,3-b]pyrrolizin-8-one is C16H11NO2S.
The molecular weight of 3-(4-Methoxyphenyl)-8H-thieno[2,3-b]pyrrolizin-8-one is 281.05106 g/mol.
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