Adriamycin aglycone
TL;DR: Adriamycin aglycone (CAS 24385-10-2) is a chemical compound with molecular formula C21H18O9 and molecular weight 414.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-6,7,9,11-tetrahydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Doxorubicinone, Adriamycinone, Adriamycin aglycone, Doxorubicin aglycone, Adriamycinon
| Molecular Formula | C21H18O9 |
|---|---|
| Molecular Weight | 414.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.0951 |
| Heavy Atoms | 30 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 24385-10-2 |
|---|---|
| SMILES | COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@](C[C@@H]4O)(C(=O)CO)O)C(=C3C2=O)O)O |
| InChIKey | IBZGBXXTIGCACK-CWKPULSASA-N |
Product Overview
Adriamycin aglycone (CAS 24385-10-2), with molecular formula C21H18O9 and molecular weight 414.10 g/mol. IUPAC: (7S,9S)-6,7,9,11-tetrahydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Adriamycin aglycone
Property Insights of Adriamycin aglycone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adriamycin aglycone. The TPSA of 162.0 Ų indicates high polarity, suggesting Adriamycin aglycone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adriamycin aglycone has 5 hydrogen bond donor(s) and 9 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 Adriamycin aglycone?
The CAS number of Adriamycin aglycone is 24385-10-2.
What is the molecular formula of Adriamycin aglycone?
The molecular formula of Adriamycin aglycone is C21H18O9.
What is the molecular weight of Adriamycin aglycone?
The molecular weight of Adriamycin aglycone is 414.10 g/mol.
Where can I buy Adriamycin aglycone?
You can request a quote for Adriamycin aglycone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adriamycin aglycone?
Yes, KEHONG BIO provides custom synthesis services for Adriamycin aglycone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.