丁螺環酮
TL;DR: 丁螺環酮 (CAS 36505-84-7) is a chemical compound with molecular formula C21H31N5O2 and molecular weight 385.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁螺環酮
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
Also Known As: buspirone, Buspirona, Ansial, Buspironum, Buspar
| Molecular Formula | C21H31N5O2 |
|---|---|
| Molecular Weight | 385.25 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.24777 |
| Heavy Atoms | 28 |
| Complexity | 529.0 |
| Melting Point | 201.5-202.5 |
| Solubility | 5.88e-01 g/L |
Chemical Identifiers
| CAS Number | 36505-84-7 |
|---|---|
| SMILES | C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4 |
| InChIKey | QWCRAEMEVRGPNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁螺環酮 (CAS 36505-84-7), with molecular formula C21H31N5O2 and molecular weight 385.25 g/mol. IUPAC: 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione.
Chemical Property Profile of 丁螺環酮
Property Insights of 丁螺環酮
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁螺環酮. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 丁螺環酮. Following Lipinski's Rule of Five, 丁螺環酮 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 丁螺環酮?
The CAS number of 丁螺環酮 is 36505-84-7.
What is the molecular formula of 丁螺環酮?
The molecular formula of 丁螺環酮 is C21H31N5O2.
What is the molecular weight of 丁螺環酮?
The molecular weight of 丁螺環酮 is 385.25 g/mol.
Where can I buy 丁螺環酮?
You can request a quote for 丁螺環酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁螺環酮?
Yes, KEHONG BIO provides custom synthesis services for 丁螺環酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.