Tiagabine Hydrochloride
TL;DR: Tiagabine Hydrochloride (CAS 145821-59-6) is a chemical compound with molecular formula C20H26ClNO2S2 and molecular weight 411.10934 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid;hydrochloride
Also Known As: Tiagabine hydrochloride, Gabitril, TIAGABINE HCl, tiagabine, Gabatril
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H26ClNO2S2 |
| Molecular Weight | 411.10934 g/mol |
| XLogP | 5.47 |
| Topological Polar Surface Area (TPSA) | 97.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.10934 Da |
| Heavy Atoms | 26 |
| Complexity | 474.0 |
| SMILES | CC1=C(SC=C1)C(=CCCN2CCC[C@H](C2)C(=O)O)C3=C(C=CS3)C.Cl |
| InChIKey | YUKARLAABCGMCN-PKLMIRHRSA-N |
Chemical Property Profile of Tiagabine Hydrochloride
Property Insights of Tiagabine Hydrochloride
The XLogP value of 5.47 indicates that Tiagabine Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tiagabine Hydrochloride. Following Lipinski's Rule of Five, Tiagabine Hydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Tiagabine Hydrochloride?
The CAS number of Tiagabine Hydrochloride is 145821-59-6.
What is the molecular formula of Tiagabine Hydrochloride?
The molecular formula of Tiagabine Hydrochloride is C20H26ClNO2S2.
What is the molecular weight of Tiagabine Hydrochloride?
The molecular weight of Tiagabine Hydrochloride is 411.10934 g/mol.
Where can I buy Tiagabine Hydrochloride?
You can request a quote for Tiagabine Hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tiagabine Hydrochloride?
Yes, CoreyChem provides custom synthesis services for Tiagabine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.