2-Fluoro-4-demethoxydaunomycin
TL;DR: 2-Fluoro-4-demethoxydaunomycin (CAS 118243-76-8) is a chemical compound with molecular formula C26H26FNO9 and molecular weight 515.16 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-2-fluoro-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 2-FM-Daunorubicin, 2-Fluoro-4-demethoxydaunomycin, 2-Fluoro-4-methoxydaunorubicin, 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2-fluoro-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione, 5,12-Naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-2-fluoro-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, (7S-cis)-
| Molecular Formula | C26H26FNO9 |
|---|---|
| Molecular Weight | 515.16 g/mol |
| LogP | 1.1594 |
| Topological Polar Surface Area | 176.61 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 515.1592 |
| Heavy Atoms | 37 |
| Complexity | 1346.2881 |
Chemical Identifiers
| CAS Number | 118243-76-8 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C=CC(=C5)F)O)(C(=O)C)O)N)O |
Product Overview
2-Fluoro-4-demethoxydaunomycin (CAS 118243-76-8), with molecular formula C26H26FNO9 and molecular weight 515.16 g/mol. IUPAC: 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2-fluoro-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 2-Fluoro-4-demethoxydaunomycin
Property Insights of 2-Fluoro-4-demethoxydaunomycin
The XLogP value of 1.1594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-4-demethoxydaunomycin. The TPSA of 176.61 Ų indicates high polarity, suggesting 2-Fluoro-4-demethoxydaunomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Fluoro-4-demethoxydaunomycin has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Fluoro-4-demethoxydaunomycin?
The CAS number of 2-Fluoro-4-demethoxydaunomycin is 118243-76-8.
What is the molecular formula of 2-Fluoro-4-demethoxydaunomycin?
The molecular formula of 2-Fluoro-4-demethoxydaunomycin is C26H26FNO9.
What is the molecular weight of 2-Fluoro-4-demethoxydaunomycin?
The molecular weight of 2-Fluoro-4-demethoxydaunomycin is 515.16 g/mol.
Where can I buy 2-Fluoro-4-demethoxydaunomycin?
You can request a quote for 2-Fluoro-4-demethoxydaunomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-4-demethoxydaunomycin?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-4-demethoxydaunomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.