4-Demethyl Daunomycinone
TL;DR: 4-Demethyl Daunomycinone (CAS 52744-22-6) is a chemical compound with molecular formula C20H16O8 and molecular weight 384.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-9-acetyl-4,6,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Carminomycinone, 4-Demethyl Daunomycinone, (+)-Carminomycinone, Idarubicin Impurity 12, 4-O-Demethyldaunomycinone
| Molecular Formula | C20H16O8 |
|---|---|
| Molecular Weight | 384.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 384.0845 |
| Heavy Atoms | 28 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 52744-22-6 |
|---|---|
| SMILES | CC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O)O |
| InChIKey | XYDJGVROLWFENK-YBTHPKLGSA-N |
Product Overview
4-Demethyl Daunomycinone (CAS 52744-22-6), with molecular formula C20H16O8 and molecular weight 384.08 g/mol. IUPAC: (7S,9S)-9-acetyl-4,6,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 4-Demethyl Daunomycinone
Property Insights of 4-Demethyl Daunomycinone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Demethyl Daunomycinone. The TPSA of 152.0 Ų indicates high polarity, suggesting 4-Demethyl Daunomycinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Demethyl Daunomycinone has 5 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 4-Demethyl Daunomycinone?
The CAS number of 4-Demethyl Daunomycinone is 52744-22-6.
What is the molecular formula of 4-Demethyl Daunomycinone?
The molecular formula of 4-Demethyl Daunomycinone is C20H16O8.
What is the molecular weight of 4-Demethyl Daunomycinone?
The molecular weight of 4-Demethyl Daunomycinone is 384.08 g/mol.
Where can I buy 4-Demethyl Daunomycinone?
You can request a quote for 4-Demethyl Daunomycinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Demethyl Daunomycinone?
Yes, KEHONG BIO provides custom synthesis services for 4-Demethyl Daunomycinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.