4'-Iododoxorubicinol
TL;DR: 4'-Iododoxorubicinol (CAS 111865-30-6) is a chemical compound with molecular formula C27H30INO10 and molecular weight 655.09143 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(4-amino-5-iodo-6-methyloxan-2-yl)oxy-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 4'-Iododoxorubicinol, 7-(4-amino-5-iodo-6-methyloxan-2-yl)oxy-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, 10-[(4-Amino-5-iodo-6-methyloxan-2-yl)oxy]-8-(1,2-dihydroxyethyl)-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
Technical Specifications
| Molecular Formula | C27H30INO10 |
| Molecular Weight | 655.09143 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 189.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 655.09143 Da |
| Heavy Atoms | 39 |
| Complexity | 940.0 |
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(CO)O)O)N)I |
| InChIKey | KLVKZKZLMNCPHM-UHFFFAOYSA-N |
Chemical Property Profile of 4'-Iododoxorubicinol
Property Insights of 4'-Iododoxorubicinol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Iododoxorubicinol. The TPSA of 189.0 Ų indicates high polarity, suggesting 4'-Iododoxorubicinol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-Iododoxorubicinol has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4'-Iododoxorubicinol?
The CAS number of 4'-Iododoxorubicinol is 111865-30-6.
What is the molecular formula of 4'-Iododoxorubicinol?
The molecular formula of 4'-Iododoxorubicinol is C27H30INO10.
What is the molecular weight of 4'-Iododoxorubicinol?
The molecular weight of 4'-Iododoxorubicinol is 655.09143 g/mol.
Where can I buy 4'-Iododoxorubicinol?
You can request a quote for 4'-Iododoxorubicinol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-Iododoxorubicinol?
Yes, CoreyChem provides custom synthesis services for 4'-Iododoxorubicinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.