Cetohexazine
TL;DR: Cetohexazine (CAS 90405-67-7) is a chemical compound with molecular formula C6H8N2O and molecular weight 124.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1H-pyridazin-6-one
Also Known As: Cetohexazine, ketohexazine, Cetohexazinum, Ketohexazinum, cetohexazina
| Molecular Formula | C6H8N2O |
|---|---|
| Molecular Weight | 124.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.06366 |
| Heavy Atoms | 9 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 90405-67-7 |
|---|---|
| SMILES | CC1=CC(=NNC1=O)C |
| InChIKey | ZPRPJXHUPKXCTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cetohexazine (CAS 90405-67-7), with molecular formula C6H8N2O and molecular weight 124.06 g/mol. IUPAC: 3,5-dimethyl-1H-pyridazin-6-one.
Chemical Property Profile of Cetohexazine
Property Insights of Cetohexazine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cetohexazine. With a topological polar surface area (TPSA) of 41.5 Ų, Cetohexazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cetohexazine has 1 hydrogen bond donor(s) and 2 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 Cetohexazine?
The CAS number of Cetohexazine is 90405-67-7.
What is the molecular formula of Cetohexazine?
The molecular formula of Cetohexazine is C6H8N2O.
What is the molecular weight of Cetohexazine?
The molecular weight of Cetohexazine is 124.06 g/mol.
Where can I buy Cetohexazine?
You can request a quote for Cetohexazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cetohexazine?
Yes, KEHONG BIO provides custom synthesis services for Cetohexazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.