Doxorubicinol
TL;DR: Doxorubicinol (CAS 54193-28-1) is a chemical compound with molecular formula C27H31NO11 and molecular weight 545.1897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-[(1S)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Doxorubicinol, Adriamycinol, 13-Dihydrodoxorubicin, Antibiotic 27706RP, Doxol
Technical Specifications
| Molecular Formula | C27H31NO11 |
| Molecular Weight | 545.1897 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 209.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 545.1897 Da |
| Heavy Atoms | 39 |
| Complexity | 935.0 |
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)([C@H](CO)O)O)N)O |
| InChIKey | NKZRZOVSJNSBFR-FEMMEMONSA-N |
Chemical Property Profile of Doxorubicinol
Property Insights of Doxorubicinol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Doxorubicinol. The TPSA of 209.0 Ų indicates high polarity, suggesting Doxorubicinol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Doxorubicinol has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Doxorubicinol?
The CAS number of Doxorubicinol is 54193-28-1.
What is the molecular formula of Doxorubicinol?
The molecular formula of Doxorubicinol is C27H31NO11.
What is the molecular weight of Doxorubicinol?
The molecular weight of Doxorubicinol is 545.1897 g/mol.
Where can I buy Doxorubicinol?
You can request a quote for Doxorubicinol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Doxorubicinol?
Yes, CoreyChem provides custom synthesis services for Doxorubicinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.