tandospirone citrate
TL;DR: tandospirone citrate (CAS 112457-95-1) is a chemical compound with molecular formula C27H37N5O9 and molecular weight 575.25916 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxypropane-1,2,3-tricarboxylic acid;(1R,2S,6R,7S)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: tandospirone citrate, Sediel, Tandospirone, SM-3997 citrate, Tandopsirone citrate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C27H37N5O9 |
| Molecular Weight | 575.25916 g/mol |
| XLogP | 0.16 |
| Topological Polar Surface Area (TPSA) | 202.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 575.25916 Da |
| Heavy Atoms | 41 |
| Complexity | 799.0 |
| SMILES | C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | DMLGUJHNIWGCKM-DPFKZJTMSA-N |
Chemical Property Profile of tandospirone citrate
Property Insights of tandospirone citrate
The XLogP value of 0.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tandospirone citrate. The TPSA of 202.0 Ų indicates high polarity, suggesting tandospirone citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tandospirone citrate has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of tandospirone citrate?
The CAS number of tandospirone citrate is 112457-95-1.
What is the molecular formula of tandospirone citrate?
The molecular formula of tandospirone citrate is C27H37N5O9.
What is the molecular weight of tandospirone citrate?
The molecular weight of tandospirone citrate is 575.25916 g/mol.
Where can I buy tandospirone citrate?
You can request a quote for tandospirone citrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tandospirone citrate?
Yes, CoreyChem provides custom synthesis services for tandospirone citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.