Doxorubicinone
TL;DR: Doxorubicinone (CAS 56149-23-6) is a chemical compound with molecular formula C21H20O9 and molecular weight 416.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(1,2-dihydroxyethyl)-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Doxorubicinone, Doxorubicinolone, Doxorubicinolone, 90%, 4'-Deoxydoxorubicinol 7-deoxyaglycone, 5,12-Naphthacenedione, 8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-
| Molecular Formula | C21H20O9 |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.11072 |
| Heavy Atoms | 30 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 56149-23-6 |
|---|---|
| SMILES | COC1=CC=CC2=C1C(=O)C3=C(C4=C(CC(CC4O)(C(CO)O)O)C(=C3C2=O)O)O |
| InChIKey | CGVVIRBOJFDFBH-UHFFFAOYSA-N |
Product Overview
Doxorubicinone (CAS 56149-23-6), with molecular formula C21H20O9 and molecular weight 416.11 g/mol. IUPAC: 9-(1,2-dihydroxyethyl)-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Doxorubicinone
Property Insights of Doxorubicinone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Doxorubicinone. The TPSA of 165.0 Ų indicates high polarity, suggesting Doxorubicinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Doxorubicinone 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 Doxorubicinone?
The CAS number of Doxorubicinone is 56149-23-6.
What is the molecular formula of Doxorubicinone?
The molecular formula of Doxorubicinone is C21H20O9.
What is the molecular weight of Doxorubicinone?
The molecular weight of Doxorubicinone is 416.11 g/mol.
Where can I buy Doxorubicinone?
You can request a quote for Doxorubicinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Doxorubicinone?
Yes, KEHONG BIO provides custom synthesis services for Doxorubicinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.