TL;DR: 1-(1-Methyl-3,3-di-2-thienylpropyl)pyrrolidine hydrochloride (CAS 63732-16-1) is a chemical compound with molecular formula C16H22ClNS2 and molecular weight 327.08823 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4,4-dithiophen-2-ylbutan-2-yl)pyrrolidine;hydrochloride
Also Known As: 1-(1-Methyl-3,3-di-2-thienylpropyl)pyrrolidine hydrochloride, Pyrrolidine, 1-(1-methyl-3,3-di-2-thienylpropyl)-, hydrochloride, 2-[4,4-di(thiophen-2-yl)butan-2-yl]pyrrolidine hydrochloride(1:1), 2-(4,4-dithiophen-2-ylbutan-2-yl)pyrrolidine hydrochloride, 2-[4,4-Di(thiophen-2-yl)butan-2-yl]pyrrolidine--hydrogen chloride (1/1)
| Molecular Formula | C16H22ClNS2 |
| Molecular Weight | 327.08823 g/mol |
| XLogP | 5.14 |
| Topological Polar Surface Area (TPSA) | 68.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.08823 Da |
| Heavy Atoms | 20 |
| Complexity | 268.0 |
| SMILES | CC(CC(C1=CC=CS1)C2=CC=CS2)C3CCCN3.Cl |
| InChIKey | DJCHTAHAONOCOH-UHFFFAOYSA-N |
The XLogP value of 5.14 indicates that 1-(1-Methyl-3,3-di-2-thienylpropyl)pyrrolidine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Methyl-3,3-di-2-thienylpropyl)pyrrolidine hydrochloride. Following Lipinski's Rule of Five, 1-(1-Methyl-3,3-di-2-thienylpropyl)pyrrolidine hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(1-Methyl-3,3-di-2-thienylpropyl)pyrrolidine hydrochloride is 63732-16-1.
The molecular formula of 1-(1-Methyl-3,3-di-2-thienylpropyl)pyrrolidine hydrochloride is C16H22ClNS2.
The molecular weight of 1-(1-Methyl-3,3-di-2-thienylpropyl)pyrrolidine hydrochloride is 327.08823 g/mol.
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