Zalospirone
TL;DR: Zalospirone (CAS 130445-55-5) is a chemical compound with molecular formula C24H29N5O2 and molecular weight 419.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,6S,7S,8S,11R)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
Also Known As: Zalospirone, Zalospirona, Zalospironum, Zalospirone [INN], Zalospironum [INN-Latin]
| Molecular Formula | C24H29N5O2 |
|---|---|
| Molecular Weight | 419.23 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.23212 |
| Heavy Atoms | 31 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 130445-55-5 |
|---|---|
| SMILES | C1CN(CCN1CCCCN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]5[C@H]4C=C5)C6=NC=CC=N6 |
| InChIKey | AERLHOTUXIJQFV-RCPZPFRWSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Zalospirone (CAS 130445-55-5), with molecular formula C24H29N5O2 and molecular weight 419.23 g/mol. IUPAC: (1R,2R,6S,7S,8S,11R)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione.
Chemical Property Profile of Zalospirone
Property Insights of Zalospirone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Zalospirone. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Zalospirone. Following Lipinski's Rule of Five, Zalospirone 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 Zalospirone?
The CAS number of Zalospirone is 130445-55-5.
What is the molecular formula of Zalospirone?
The molecular formula of Zalospirone is C24H29N5O2.
What is the molecular weight of Zalospirone?
The molecular weight of Zalospirone is 419.23 g/mol.
Where can I buy Zalospirone?
You can request a quote for Zalospirone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zalospirone?
Yes, KEHONG BIO provides custom synthesis services for Zalospirone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.