Piroxantrone
TL;DR: Piroxantrone (CAS 91441-23-5) is a chemical compound with molecular formula C21H25N5O4 and molecular weight 411.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(3-aminopropylimino)-6,8-dihydroxy-14-[2-(2-hydroxyethylamino)ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,4,6,8,11,13(16)-hexaen-3-one
Also Known As: Piroxantrone, Oxantrazole, Piroxantrona, Piroxantronum, Piroxanthrone
| Molecular Formula | C21H25N5O4 |
|---|---|
| Molecular Weight | 411.19 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.19064 |
| Heavy Atoms | 30 |
| Complexity | 997.0 |
Chemical Identifiers
| CAS Number | 91441-23-5 |
|---|---|
| SMILES | C1=CC(=NCCCN)C2=C(C3=C(C=CC(=O)C3=C4C2=C1N(N4)CCNCCO)O)O |
| InChIKey | UKNVCOILWOLTLJ-UHFFFAOYSA-N |
Product Overview
Piroxantrone (CAS 91441-23-5), with molecular formula C21H25N5O4 and molecular weight 411.19 g/mol. IUPAC: 10-(3-aminopropylimino)-6,8-dihydroxy-14-[2-(2-hydroxyethylamino)ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,4,6,8,11,13(16)-hexaen-3-one.
Chemical Property Profile of Piroxantrone
Property Insights of Piroxantrone
The XLogP value of -1.1 indicates that Piroxantrone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting Piroxantrone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Piroxantrone has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Piroxantrone?
The CAS number of Piroxantrone is 91441-23-5.
What is the molecular formula of Piroxantrone?
The molecular formula of Piroxantrone is C21H25N5O4.
What is the molecular weight of Piroxantrone?
The molecular weight of Piroxantrone is 411.19 g/mol.
Where can I buy Piroxantrone?
You can request a quote for Piroxantrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piroxantrone?
Yes, KEHONG BIO provides custom synthesis services for Piroxantrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.