Umespirone
TL;DR: Umespirone (CAS 107736-98-1) is a chemical compound with molecular formula C28H40N4O5 and molecular weight 512.29987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
Also Known As: Umespirone, Rilmazafone, Umespirona, Umespironum, Umespirone [INN]
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C28H40N4O5 |
| Molecular Weight | 512.29987 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 90.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 512.29987 Da |
| Heavy Atoms | 37 |
| Complexity | 831.0 |
| SMILES | CCCCN1C(=O)C2C(=O)N(C(=O)C(C1=O)C2(C)C)CCCCN3CCN(CC3)C4=CC=CC=C4OC |
| InChIKey | BXNRTMZZILHVNJ-UHFFFAOYSA-N |
Chemical Property Profile of Umespirone
Property Insights of Umespirone
The XLogP value of 3.4 indicates that Umespirone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Umespirone. Following Lipinski's Rule of Five, Umespirone has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Umespirone?
The CAS number of Umespirone is 107736-98-1.
What is the molecular formula of Umespirone?
The molecular formula of Umespirone is C28H40N4O5.
What is the molecular weight of Umespirone?
The molecular weight of Umespirone is 512.29987 g/mol.
Where can I buy Umespirone?
You can request a quote for Umespirone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Umespirone?
Yes, CoreyChem provides custom synthesis services for Umespirone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.