6-Deoxy-4-demethoxydaunomycin
TL;DR: 6-Deoxy-4-demethoxydaunomycin (CAS 84082-03-1) 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-9,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 6-Deoxy-4-demethoxydaunomycin, 4-Demethoxy-11-deoxy-4'-epi-daunorubicin, 4-Demethoxy-4-iso-propoxy-daunorubicin*HCl, 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione, 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8-dihydroxy-, (8S-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 | 84082-03-1 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C=C23)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O |
| InChIKey | VBIYTXNRFIHEIE-UHFFFAOYSA-N |
Product Overview
6-Deoxy-4-demethoxydaunomycin (CAS 84082-03-1), with molecular formula C26H27NO8 and molecular weight 481.17 g/mol. IUPAC: 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 6-Deoxy-4-demethoxydaunomycin
Property Insights of 6-Deoxy-4-demethoxydaunomycin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Deoxy-4-demethoxydaunomycin. The TPSA of 156.0 Ų indicates high polarity, suggesting 6-Deoxy-4-demethoxydaunomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Deoxy-4-demethoxydaunomycin 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 6-Deoxy-4-demethoxydaunomycin?
The CAS number of 6-Deoxy-4-demethoxydaunomycin is 84082-03-1.
What is the molecular formula of 6-Deoxy-4-demethoxydaunomycin?
The molecular formula of 6-Deoxy-4-demethoxydaunomycin is C26H27NO8.
What is the molecular weight of 6-Deoxy-4-demethoxydaunomycin?
The molecular weight of 6-Deoxy-4-demethoxydaunomycin is 481.17 g/mol.
Where can I buy 6-Deoxy-4-demethoxydaunomycin?
You can request a quote for 6-Deoxy-4-demethoxydaunomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Deoxy-4-demethoxydaunomycin?
Yes, KEHONG BIO provides custom synthesis services for 6-Deoxy-4-demethoxydaunomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.