4'''-Aclacinomycinamide
TL;DR: 4'''-Aclacinomycinamide (CAS 79366-08-8) is a chemical compound with molecular formula C44H58N2O15 and molecular weight 854.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-[5-(5-acetamido-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: 4'''-Aclacinomycinamide, 4'''(R)-N-Acetamideaclacinomycin A, 1-Naphthacenecarboxylic acid, 4-((4-O-(4-O-((2S-(2alpha,5alpha,6beta))-5-(acetylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-, Methyl (1R-(1alpha,2beta,4beta))-4-((4-O-(4-O-((2S-(2alpha,5alpha,6beta))-5-(acetylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-1-naphthacenecarboxylate, Methyl 4-((4-O-(4-O-((2S-(2alpha,5alpha,6beta))-5-(acetylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-1-naphthacenecarboxylate (1R-(1alpha,2beta,4beta))-
| Molecular Formula | C44H58N2O15 |
|---|---|
| Molecular Weight | 854.38 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 229.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 854.3837 |
| Heavy Atoms | 61 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 79366-08-8 |
|---|---|
| SMILES | CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(C(O7)C)NC(=O)C)O)N(C)C)O |
| InChIKey | CBAHKCBTZPLJAP-UHFFFAOYSA-N |
Product Overview
4'''-Aclacinomycinamide (CAS 79366-08-8), with molecular formula C44H58N2O15 and molecular weight 854.38 g/mol. IUPAC: methyl 4-[5-[5-(5-acetamido-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of 4'''-Aclacinomycinamide
Property Insights of 4'''-Aclacinomycinamide
The XLogP value of 3.8 indicates that 4'''-Aclacinomycinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 229.0 Ų indicates high polarity, suggesting 4'''-Aclacinomycinamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'''-Aclacinomycinamide has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4'''-Aclacinomycinamide?
The CAS number of 4'''-Aclacinomycinamide is 79366-08-8.
What is the molecular formula of 4'''-Aclacinomycinamide?
The molecular formula of 4'''-Aclacinomycinamide is C44H58N2O15.
What is the molecular weight of 4'''-Aclacinomycinamide?
The molecular weight of 4'''-Aclacinomycinamide is 854.38 g/mol.
Where can I buy 4'''-Aclacinomycinamide?
You can request a quote for 4'''-Aclacinomycinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'''-Aclacinomycinamide?
Yes, KEHONG BIO provides custom synthesis services for 4'''-Aclacinomycinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.