4'-Deoxydoxorubicinol 7-deoxyaglycone
TL;DR: 4'-Deoxydoxorubicinol 7-deoxyaglycone (CAS 141975-30-6) is a chemical compound with molecular formula C21H20O9 and molecular weight 416.11072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7S,9S)-9-[(1S)-1,2-dihydroxyethyl]-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Doxorubicinolone, 4-Dol-done, Doxorubicinol aglycone, 13-Dihydrodoxorubicinone, Epirubicinol aglycon
Technical Specifications
| Molecular Formula | C21H20O9 |
| Molecular Weight | 416.11072 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 165.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.11072 Da |
| Heavy Atoms | 30 |
| Complexity | 698.0 |
| SMILES | COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@](C[C@@H]4O)([C@H](CO)O)O)C(=C3C2=O)O)O |
| InChIKey | CGVVIRBOJFDFBH-FPQVQZPGSA-N |
Chemical Property Profile of 4'-Deoxydoxorubicinol 7-deoxyaglycone
Property Insights of 4'-Deoxydoxorubicinol 7-deoxyaglycone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Deoxydoxorubicinol 7-deoxyaglycone. The TPSA of 165.0 Ų indicates high polarity, suggesting 4'-Deoxydoxorubicinol 7-deoxyaglycone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-Deoxydoxorubicinol 7-deoxyaglycone has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4'-Deoxydoxorubicinol 7-deoxyaglycone?
The CAS number of 4'-Deoxydoxorubicinol 7-deoxyaglycone is 141975-30-6.
What is the molecular formula of 4'-Deoxydoxorubicinol 7-deoxyaglycone?
The molecular formula of 4'-Deoxydoxorubicinol 7-deoxyaglycone is C21H20O9.
What is the molecular weight of 4'-Deoxydoxorubicinol 7-deoxyaglycone?
The molecular weight of 4'-Deoxydoxorubicinol 7-deoxyaglycone is 416.11072 g/mol.
Where can I buy 4'-Deoxydoxorubicinol 7-deoxyaglycone?
You can request a quote for 4'-Deoxydoxorubicinol 7-deoxyaglycone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-Deoxydoxorubicinol 7-deoxyaglycone?
Yes, CoreyChem provides custom synthesis services for 4'-Deoxydoxorubicinol 7-deoxyaglycone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.