Daunorubicin aglycone
TL;DR: Daunorubicin aglycone (CAS 1217837-48-3) 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.
9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Daunomycinone, Daunomycinone-d3, Daunorubicin aglycone, Daunorubicinone, Daunomycinon
| 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 | 1217837-48-3 |
|---|---|
| SMILES | CC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O)O |
| InChIKey | YOFDHOWPGULAQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Daunorubicin aglycone (CAS 1217837-48-3), with molecular formula C21H18O8 and molecular weight 398.10 g/mol. IUPAC: 9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Daunorubicin aglycone
Property Insights of Daunorubicin aglycone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Daunorubicin aglycone. The TPSA of 141.0 Ų indicates high polarity, suggesting Daunorubicin aglycone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Daunorubicin aglycone 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 Daunorubicin aglycone?
The CAS number of Daunorubicin aglycone is 1217837-48-3.
What is the molecular formula of Daunorubicin aglycone?
The molecular formula of Daunorubicin aglycone is C21H18O8.
What is the molecular weight of Daunorubicin aglycone?
The molecular weight of Daunorubicin aglycone is 398.10 g/mol.
Where can I buy Daunorubicin aglycone?
You can request a quote for Daunorubicin aglycone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daunorubicin aglycone?
Yes, KEHONG BIO provides custom synthesis services for Daunorubicin aglycone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.