Doxorubicinol (hydrochloride)
TL;DR: Doxorubicinol (hydrochloride) (CAS 76155-56-1) 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.
7-(4-amino-5-hydroxy-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: Adriamycinol, Doxorubicinol, Epirubicinol, 13-Dihydrodoxorubicin, Doxorubicinol aglycone
| 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 | 76155-56-1 |
|---|---|
| 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)O |
| InChIKey | NKZRZOVSJNSBFR-UHFFFAOYSA-N |
Product Overview
Doxorubicinol (hydrochloride) (CAS 76155-56-1), with molecular formula C27H31NO11 and molecular weight 545.19 g/mol. IUPAC: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Doxorubicinol (hydrochloride)
Property Insights of Doxorubicinol (hydrochloride)
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Doxorubicinol (hydrochloride). The TPSA of 209.0 Ų indicates high polarity, suggesting Doxorubicinol (hydrochloride) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Doxorubicinol (hydrochloride) 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 Doxorubicinol (hydrochloride)?
The CAS number of Doxorubicinol (hydrochloride) is 76155-56-1.
What is the molecular formula of Doxorubicinol (hydrochloride)?
The molecular formula of Doxorubicinol (hydrochloride) is C27H31NO11.
What is the molecular weight of Doxorubicinol (hydrochloride)?
The molecular weight of Doxorubicinol (hydrochloride) is 545.19 g/mol.
Where can I buy Doxorubicinol (hydrochloride)?
You can request a quote for Doxorubicinol (hydrochloride) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Doxorubicinol (hydrochloride)?
Yes, KEHONG BIO provides custom synthesis services for Doxorubicinol (hydrochloride) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.