Ledoxantrone
TL;DR: Ledoxantrone (CAS 119221-49-7) is a chemical compound with molecular formula C21H27N5OS and molecular weight 397.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(2-aminoethylamino)-14-[2-(diethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,6,9,11,13(16)-hexaen-5-one
Also Known As: LEDOXANTRONE, Sedoxantrone, Ledoxantrona, Ledoxantrone [INN], Ledoxantrone HCl
| Molecular Formula | C21H27N5OS |
|---|---|
| Molecular Weight | 397.19 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 98.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.19363 |
| Heavy Atoms | 28 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 119221-49-7 |
|---|---|
| SMILES | CCN(CC)CCN1C2=C3C(=C4C=CC(=O)C=C4SC3=C(C=C2)NCCN)N1 |
| InChIKey | IMMFHFBXRWAZGX-UHFFFAOYSA-N |
Product Overview
Ledoxantrone (CAS 119221-49-7), with molecular formula C21H27N5OS and molecular weight 397.19 g/mol. IUPAC: 10-(2-aminoethylamino)-14-[2-(diethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,6,9,11,13(16)-hexaen-5-one.
Chemical Property Profile of Ledoxantrone
Property Insights of Ledoxantrone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ledoxantrone. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ledoxantrone. Following Lipinski's Rule of Five, Ledoxantrone 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 Ledoxantrone?
The CAS number of Ledoxantrone is 119221-49-7.
What is the molecular formula of Ledoxantrone?
The molecular formula of Ledoxantrone is C21H27N5OS.
What is the molecular weight of Ledoxantrone?
The molecular weight of Ledoxantrone is 397.19 g/mol.
Where can I buy Ledoxantrone?
You can request a quote for Ledoxantrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ledoxantrone?
Yes, KEHONG BIO provides custom synthesis services for Ledoxantrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.