Zoniclezole
TL;DR: Zoniclezole (CAS 121929-20-2) is a chemical compound with molecular formula C12H10ClN3O and molecular weight 247.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-(1-imidazol-1-ylethyl)-1,2-benzoxazole
Also Known As: Zoniclezole, zoniclezol, zoniclezolum, Zoniclezole [INN], Zoniclezole hydrochloride
| Molecular Formula | C12H10ClN3O |
|---|---|
| Molecular Weight | 247.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.05124 |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 121929-20-2 |
|---|---|
| SMILES | CC(C1=NOC2=C1C=C(C=C2)Cl)N3C=CN=C3 |
| InChIKey | QMKRARTVXMQOBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Zoniclezole (CAS 121929-20-2), with molecular formula C12H10ClN3O and molecular weight 247.05 g/mol. IUPAC: 5-chloro-3-(1-imidazol-1-ylethyl)-1,2-benzoxazole.
Chemical Property Profile of Zoniclezole
Property Insights of Zoniclezole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Zoniclezole. With a topological polar surface area (TPSA) of 43.9 Ų, Zoniclezole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Zoniclezole has 0 hydrogen bond donor(s) and 3 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 Zoniclezole?
The CAS number of Zoniclezole is 121929-20-2.
What is the molecular formula of Zoniclezole?
The molecular formula of Zoniclezole is C12H10ClN3O.
What is the molecular weight of Zoniclezole?
The molecular weight of Zoniclezole is 247.05 g/mol.
Where can I buy Zoniclezole?
You can request a quote for Zoniclezole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zoniclezole?
Yes, KEHONG BIO provides custom synthesis services for Zoniclezole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.