Oxanthrazole
TL;DR: Oxanthrazole (CAS 118201-50-6) is a chemical compound with molecular formula C21H26ClN5O4 and molecular weight 447.16733 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[10-(3-aminopropylimino)-6,8-dihydroxy-3-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,4,6,8,11,13(16)-hexaen-14-yl]ethyl-(2-hydroxyethyl)azanium chloride
Also Known As: Oxanthrazole, CI 942, 2-[10-(3-Aminopropylimino)-6,8-dihydroxy-3-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,4,6,8,11,13(16)-hexaen-14-yl]ethyl-(2-hydroxyethyl)azanium;chloride, Anthra(1,9-cd)pyrazol-6(2H)-one, 5-((3-aminopropyl)amino)-7,10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-, hydrochloride, Anthra(1,9-cd)pyrazol-6(2H)-one, 5-((3-aminopropyl)amino)-7,10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-, monohydrochloride
Technical Specifications
| Molecular Formula | C21H26ClN5O4 |
| Molecular Weight | 447.16733 g/mol |
| XLogP | -3.71 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.16733 Da |
| Heavy Atoms | 31 |
| Complexity | 997.0 |
| SMILES | C1=CC(=NCCCN)C2=C(C3=C(C=CC(=O)C3=C4C2=C1N(N4)CC[NH2+]CCO)O)O.[Cl-] |
| InChIKey | AWVHFDOHKFRHKQ-UHFFFAOYSA-N |
Chemical Property Profile of Oxanthrazole
Property Insights of Oxanthrazole
The XLogP value of -3.71 indicates that Oxanthrazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 148.0 Ų indicates high polarity, suggesting Oxanthrazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxanthrazole has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Oxanthrazole?
The CAS number of Oxanthrazole is 118201-50-6.
What is the molecular formula of Oxanthrazole?
The molecular formula of Oxanthrazole is C21H26ClN5O4.
What is the molecular weight of Oxanthrazole?
The molecular weight of Oxanthrazole is 447.16733 g/mol.
Where can I buy Oxanthrazole?
You can request a quote for Oxanthrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Oxanthrazole?
Yes, CoreyChem provides custom synthesis services for Oxanthrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.