6-O-Methylaclacinomycin
TL;DR: 6-O-Methylaclacinomycin (CAS 76264-92-1) is a chemical compound with molecular formula C43H55NO15 and molecular weight 825.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,7-dihydroxy-5-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: 6-O-Methylaclacinomycin, 6-O-Methylaclacinomycin A, methyl 4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,7-dihydroxy-5-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate, 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,7-dihydroxy-6,11-dioxo-2-ethyl-5-methoxy-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-, Methyl 2-ethyl-2,7-dihydroxy-5-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxooxan-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
| Molecular Formula | C43H55NO15 |
|---|---|
| Molecular Weight | 825.36 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 825.3572 |
| Heavy Atoms | 59 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 76264-92-1 |
|---|---|
| SMILES | CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)OC)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O |
| InChIKey | MZKGIAGYKSRHPV-UHFFFAOYSA-N |
Product Overview
6-O-Methylaclacinomycin (CAS 76264-92-1), with molecular formula C43H55NO15 and molecular weight 825.36 g/mol. IUPAC: methyl 4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,7-dihydroxy-5-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of 6-O-Methylaclacinomycin
Property Insights of 6-O-Methylaclacinomycin
The XLogP value of 4.1 indicates that 6-O-Methylaclacinomycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 206.0 Ų indicates high polarity, suggesting 6-O-Methylaclacinomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-O-Methylaclacinomycin has 3 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 6-O-Methylaclacinomycin?
The CAS number of 6-O-Methylaclacinomycin is 76264-92-1.
What is the molecular formula of 6-O-Methylaclacinomycin?
The molecular formula of 6-O-Methylaclacinomycin is C43H55NO15.
What is the molecular weight of 6-O-Methylaclacinomycin?
The molecular weight of 6-O-Methylaclacinomycin is 825.36 g/mol.
Where can I buy 6-O-Methylaclacinomycin?
You can request a quote for 6-O-Methylaclacinomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-O-Methylaclacinomycin?
Yes, KEHONG BIO provides custom synthesis services for 6-O-Methylaclacinomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.