4-Demethoxydaunomycinone
TL;DR: 4-Demethoxydaunomycinone (CAS 6242-98-4) is a chemical compound with molecular formula C20H16O7 and molecular weight 368.09 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-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Idarubicinone, Idarubicin aglycone, 4-Demethoxydaunomycinone, (+)-Idarubicinone, Idarubicin Impurity 1
| Molecular Formula | C20H16O7 |
|---|---|
| Molecular Weight | 368.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 368.0896 |
| Heavy Atoms | 27 |
| Complexity | 675.0 |
Chemical Identifiers
| CAS Number | 6242-98-4 |
|---|---|
| SMILES | CC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)O)O |
| InChIKey | ZUFQFGSMHXKORU-YUNKPMOVSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Demethoxydaunomycinone (CAS 6242-98-4), with molecular formula C20H16O7 and molecular weight 368.09 g/mol. IUPAC: (7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 4-Demethoxydaunomycinone
Property Insights of 4-Demethoxydaunomycinone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Demethoxydaunomycinone. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Demethoxydaunomycinone. Following Lipinski's Rule of Five, 4-Demethoxydaunomycinone has 4 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 4-Demethoxydaunomycinone?
The CAS number of 4-Demethoxydaunomycinone is 6242-98-4.
What is the molecular formula of 4-Demethoxydaunomycinone?
The molecular formula of 4-Demethoxydaunomycinone is C20H16O7.
What is the molecular weight of 4-Demethoxydaunomycinone?
The molecular weight of 4-Demethoxydaunomycinone is 368.09 g/mol.
Where can I buy 4-Demethoxydaunomycinone?
You can request a quote for 4-Demethoxydaunomycinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Demethoxydaunomycinone?
Yes, KEHONG BIO provides custom synthesis services for 4-Demethoxydaunomycinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.