坦度螺酮
TL;DR: 坦度螺酮 (CAS 87760-53-0) is a chemical compound with molecular formula C21H29N5O2 and molecular weight 383.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
坦度螺酮
4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: Tandospirone, tandospirone citrate, SM-3997 citrate, Tandospirone (citrate), J1.629.585J
| Molecular Formula | C21H29N5O2 |
|---|---|
| Molecular Weight | 383.23 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.23212 |
| Heavy Atoms | 28 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 87760-53-0 |
|---|---|
| SMILES | C1CC2CC1C3C2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5 |
| InChIKey | CEIJFEGBUDEYSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
坦度螺酮 (CAS 87760-53-0), with molecular formula C21H29N5O2 and molecular weight 383.23 g/mol. IUPAC: 4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
Chemical Property Profile of 坦度螺酮
Property Insights of 坦度螺酮
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 坦度螺酮. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 坦度螺酮. Following Lipinski's Rule of Five, 坦度螺酮 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 坦度螺酮?
The CAS number of 坦度螺酮 is 87760-53-0.
What is the molecular formula of 坦度螺酮?
The molecular formula of 坦度螺酮 is C21H29N5O2.
What is the molecular weight of 坦度螺酮?
The molecular weight of 坦度螺酮 is 383.23 g/mol.
Where can I buy 坦度螺酮?
You can request a quote for 坦度螺酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 坦度螺酮?
Yes, KEHONG BIO provides custom synthesis services for 坦度螺酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.