Topixantrone hydrochloride
TL;DR: Topixantrone hydrochloride (CAS 2514569-86-7) is a chemical compound with molecular formula C21H28Cl2N6O2 and molecular weight 466.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-(dimethylamino)ethylamino]-14-[2-(2-hydroxyethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one;dihydrochloride
Also Known As: Topixantrone 2HCl, Topixantrone hydrochloride, topixantrone dihydrochloride, Topixantrone (dihydrochloride)
| Molecular Formula | C21H28Cl2N6O2 |
|---|---|
| Molecular Weight | 466.17 g/mol |
| LogP | 2.0417 |
| Topological Polar Surface Area | 95.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 466.16507 |
| Heavy Atoms | 31 |
| Complexity | 1053.7711 |
Chemical Identifiers
| CAS Number | 2514569-86-7 |
|---|---|
| SMILES | CN(C)CCNC1=C2C3=C(C=C1)N(N=C3C4=C(C2=O)C=CN=C4)CCNCCO.Cl.Cl |
Product Overview
Topixantrone hydrochloride (CAS 2514569-86-7), with molecular formula C21H28Cl2N6O2 and molecular weight 466.17 g/mol. IUPAC: 10-[2-(dimethylamino)ethylamino]-14-[2-(2-hydroxyethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one;dihydrochloride.
Chemical Property Profile of Topixantrone hydrochloride
Property Insights of Topixantrone hydrochloride
The XLogP value of 2.0417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Topixantrone hydrochloride. The TPSA of 95.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Topixantrone hydrochloride. Following Lipinski's Rule of Five, Topixantrone hydrochloride has 3 hydrogen bond donor(s) and 7 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 Topixantrone hydrochloride?
The CAS number of Topixantrone hydrochloride is 2514569-86-7.
What is the molecular formula of Topixantrone hydrochloride?
The molecular formula of Topixantrone hydrochloride is C21H28Cl2N6O2.
What is the molecular weight of Topixantrone hydrochloride?
The molecular weight of Topixantrone hydrochloride is 466.17 g/mol.
Where can I buy Topixantrone hydrochloride?
You can request a quote for Topixantrone hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Topixantrone hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Topixantrone hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.