endo-Tandospirone Citrate
TL;DR: endo-Tandospirone Citrate (CAS 87721-89-9) is a chemical compound with molecular formula C27H37N5O9 and molecular weight 575.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropane-1,2,3-tricarboxylic acid;(2R,6S)-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, endo-Tandospirone Citrate
| Molecular Formula | C27H37N5O9 |
|---|---|
| Molecular Weight | 575.26 g/mol |
| LogP | 0.1614 |
| Topological Polar Surface Area | 201.77 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 575.25916 |
| Heavy Atoms | 41 |
| Complexity | 1097.246 |
Chemical Identifiers
| CAS Number | 87721-89-9 |
|---|---|
| SMILES | C1CC2CC1[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 |
Product Overview
endo-Tandospirone Citrate (CAS 87721-89-9), with molecular formula C27H37N5O9 and molecular weight 575.26 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;(2R,6S)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
Chemical Property Profile of endo-Tandospirone Citrate
Property Insights of endo-Tandospirone Citrate
The XLogP value of 0.1614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for endo-Tandospirone Citrate. The TPSA of 201.77 Ų indicates high polarity, suggesting endo-Tandospirone Citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, endo-Tandospirone Citrate has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of endo-Tandospirone Citrate?
The CAS number of endo-Tandospirone Citrate is 87721-89-9.
What is the molecular formula of endo-Tandospirone Citrate?
The molecular formula of endo-Tandospirone Citrate is C27H37N5O9.
What is the molecular weight of endo-Tandospirone Citrate?
The molecular weight of endo-Tandospirone Citrate is 575.26 g/mol.
Where can I buy endo-Tandospirone Citrate?
You can request a quote for endo-Tandospirone Citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for endo-Tandospirone Citrate?
Yes, KEHONG BIO provides custom synthesis services for endo-Tandospirone Citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.