4-Demethoxy-11-deoxydaunomycin
TL;DR: 4-Demethoxy-11-deoxydaunomycin (CAS 85504-84-3) is a chemical compound with molecular formula C26H27NO8 and molecular weight 481.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 4-Demethoxy-11-deoxydaunomycin, 4-Demethoxy-11-deoxy-4'-epidaunorubicin, 3-Acetyl-3,12-dihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside, 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione, 5,12-Naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9-dihydroxy-, (7S-cis)-
| Molecular Formula | C26H27NO8 |
|---|---|
| Molecular Weight | 481.17 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 481.17368 |
| Heavy Atoms | 35 |
| Complexity | 879.0 |
Chemical Identifiers
| CAS Number | 85504-84-3 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=CC4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)(C(=O)C)O)N)O |
| InChIKey | GDGDDTIYKPCVEG-UHFFFAOYSA-N |
Product Overview
4-Demethoxy-11-deoxydaunomycin (CAS 85504-84-3), with molecular formula C26H27NO8 and molecular weight 481.17 g/mol. IUPAC: 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 4-Demethoxy-11-deoxydaunomycin
Property Insights of 4-Demethoxy-11-deoxydaunomycin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Demethoxy-11-deoxydaunomycin. The TPSA of 156.0 Ų indicates high polarity, suggesting 4-Demethoxy-11-deoxydaunomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Demethoxy-11-deoxydaunomycin has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Demethoxy-11-deoxydaunomycin?
The CAS number of 4-Demethoxy-11-deoxydaunomycin is 85504-84-3.
What is the molecular formula of 4-Demethoxy-11-deoxydaunomycin?
The molecular formula of 4-Demethoxy-11-deoxydaunomycin is C26H27NO8.
What is the molecular weight of 4-Demethoxy-11-deoxydaunomycin?
The molecular weight of 4-Demethoxy-11-deoxydaunomycin is 481.17 g/mol.
Where can I buy 4-Demethoxy-11-deoxydaunomycin?
You can request a quote for 4-Demethoxy-11-deoxydaunomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Demethoxy-11-deoxydaunomycin?
Yes, KEHONG BIO provides custom synthesis services for 4-Demethoxy-11-deoxydaunomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.