Epirubicinol
TL;DR: Epirubicinol (CAS 80206-32-2) is a chemical compound with molecular formula C27H31NO11 and molecular weight 545.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-7-[(2R,4S,5R,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: Epirubicinol, Epidoxorubicinol, 4'-Epiadriamycinol, 13-Dihydrodoxorubicin, 4 -epi-Doxorubicinol
| Molecular Formula | C27H31NO11 |
|---|---|
| Molecular Weight | 545.19 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 545.1897 |
| Heavy Atoms | 39 |
| Complexity | 935.0 |
Chemical Identifiers
| CAS Number | 80206-32-2 |
|---|---|
| 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-QXAZHNFISA-N |
Product Overview
Epirubicinol (CAS 80206-32-2), with molecular formula C27H31NO11 and molecular weight 545.19 g/mol. IUPAC: (7S,9S)-7-[(2R,4S,5R,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.
Chemical Property Profile of Epirubicinol
Property Insights of Epirubicinol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epirubicinol. The TPSA of 209.0 Ų indicates high polarity, suggesting Epirubicinol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Epirubicinol has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Epirubicinol?
The CAS number of Epirubicinol is 80206-32-2.
What is the molecular formula of Epirubicinol?
The molecular formula of Epirubicinol is C27H31NO11.
What is the molecular weight of Epirubicinol?
The molecular weight of Epirubicinol is 545.19 g/mol.
Where can I buy Epirubicinol?
You can request a quote for Epirubicinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epirubicinol?
Yes, KEHONG BIO provides custom synthesis services for Epirubicinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.