Tofisoline
TL;DR: Tofisoline (CAS 29726-99-6) is a chemical compound with molecular formula C22H26N2O4 and molecular weight 382.18927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]azanide
Also Known As: Tofisoline, KST-1B2895, 1-(3,4-Dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-3-methylisoquinoline 2-imide, [1-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]azanide, 1-(3,4-Dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-amine anion
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H26N2O4 |
| Molecular Weight | 382.18927 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.18927 Da |
| Heavy Atoms | 28 |
| Complexity | 493.0 |
| SMILES | CCC1=C([N+](=C(C2=CC(=C(C=C21)OC)OC)C3=CC(=C(C=C3)OC)OC)[NH-])C |
| InChIKey | IQLRWLFPGKTMDX-UHFFFAOYSA-N |
Chemical Property Profile of Tofisoline
Property Insights of Tofisoline
The XLogP value of 4.7 indicates that Tofisoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.8 Ų, Tofisoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tofisoline has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Tofisoline?
The CAS number of Tofisoline is 29726-99-6.
What is the molecular formula of Tofisoline?
The molecular formula of Tofisoline is C22H26N2O4.
What is the molecular weight of Tofisoline?
The molecular weight of Tofisoline is 382.18927 g/mol.
Where can I buy Tofisoline?
You can request a quote for Tofisoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tofisoline?
Yes, CoreyChem provides custom synthesis services for Tofisoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.