TL;DR: (2S)-2-(3,4,5-trimethoxyphenyl)pyrrolidine (CAS 1241678-29-4) is a chemical compound with molecular formula C13H19NO3 and molecular weight 237.13649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(3,4,5-trimethoxyphenyl)pyrrolidine
Also Known As: 2-(3,4,5-trimethoxyphenyl)pyrrolidine, (2S)-2-(3,4,5-trimethoxyphenyl)pyrrolidine, (S)-2-(3,4,5-TRIMETHOXYPHENYL)PYRROLIDINE
| Molecular Formula | C13H19NO3 |
| Molecular Weight | 237.13649 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 39.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.13649 Da |
| Heavy Atoms | 17 |
| Complexity | 223.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@@H]2CCCN2 |
| InChIKey | QLDDZYNMMJOGJY-JTQLQIEISA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(3,4,5-trimethoxyphenyl)pyrrolidine. With a topological polar surface area (TPSA) of 39.7 Ų, (2S)-2-(3,4,5-trimethoxyphenyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-2-(3,4,5-trimethoxyphenyl)pyrrolidine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2S)-2-(3,4,5-trimethoxyphenyl)pyrrolidine is 1241678-29-4.
The molecular formula of (2S)-2-(3,4,5-trimethoxyphenyl)pyrrolidine is C13H19NO3.
The molecular weight of (2S)-2-(3,4,5-trimethoxyphenyl)pyrrolidine is 237.13649 g/mol.
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