Zolertine
TL;DR: Zolertine (CAS 4004-94-8) is a chemical compound with molecular formula C13H18N6 and molecular weight 258.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]piperazine
Also Known As: Zolertine, Zolertinum, Zolertina, Phenpiprazole, Zolertine [INN]
| Molecular Formula | C13H18N6 |
|---|---|
| Molecular Weight | 258.16 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.1593 |
| Heavy Atoms | 19 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 4004-94-8 |
|---|---|
| SMILES | C1CN(CCN1CCC2=NNN=N2)C3=CC=CC=C3 |
| InChIKey | XTTHMUYLNLEJRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Zolertine (CAS 4004-94-8), with molecular formula C13H18N6 and molecular weight 258.16 g/mol. IUPAC: 1-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]piperazine.
Chemical Property Profile of Zolertine
Property Insights of Zolertine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Zolertine. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Zolertine. Following Lipinski's Rule of Five, Zolertine has 1 hydrogen bond donor(s) and 5 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 Zolertine?
The CAS number of Zolertine is 4004-94-8.
What is the molecular formula of Zolertine?
The molecular formula of Zolertine is C13H18N6.
What is the molecular weight of Zolertine?
The molecular weight of Zolertine is 258.16 g/mol.
Where can I buy Zolertine?
You can request a quote for Zolertine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zolertine?
Yes, KEHONG BIO provides custom synthesis services for Zolertine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.