(+)-Daunomycinone
TL;DR: (+)-Daunomycinone (CAS 21794-55-8) is a chemical compound with molecular formula C21H18O8 and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Daunomycinone, Daunorubicinone, Daunomycinon, Leukaemomycinone C, Daunomycin aglicone
| Molecular Formula | C21H18O8 |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.10016 |
| Heavy Atoms | 29 |
| Complexity | 721.0 |
Chemical Identifiers
| CAS Number | 21794-55-8 |
|---|---|
| SMILES | CC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O)O |
| InChIKey | YOFDHOWPGULAQF-MQJDWESPSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+)-Daunomycinone (CAS 21794-55-8), with molecular formula C21H18O8 and molecular weight 398.10 g/mol. IUPAC: (7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of (+)-Daunomycinone
Property Insights of (+)-Daunomycinone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Daunomycinone. The TPSA of 141.0 Ų indicates high polarity, suggesting (+)-Daunomycinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (+)-Daunomycinone has 4 hydrogen bond donor(s) and 8 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 (+)-Daunomycinone?
The CAS number of (+)-Daunomycinone is 21794-55-8.
What is the molecular formula of (+)-Daunomycinone?
The molecular formula of (+)-Daunomycinone is C21H18O8.
What is the molecular weight of (+)-Daunomycinone?
The molecular weight of (+)-Daunomycinone is 398.10 g/mol.
Where can I buy (+)-Daunomycinone?
You can request a quote for (+)-Daunomycinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Daunomycinone?
Yes, KEHONG BIO provides custom synthesis services for (+)-Daunomycinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.