2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A
TL;DR: 2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A (CAS 86651-71-0) is a chemical compound with molecular formula C48H59NO19 and molecular weight 953.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7,9-diacetyloxy-4-[5-[4-acetyloxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5-dihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: 2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A, 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-4-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-7,9-bis(acetyloxy)-2,5-dihydroxy-6,11-dioxo-2-ethyl-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-, hydrate (2:5), Methyl 4-({4-O-[3-O-acetyl-2,6-dideoxy-4-O-(6-methyl-5-oxooxan-2-yl)hexopyranosyl]-2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl}oxy)-7,9-bis(acetyloxy)-2-ethyl-2,5-dihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate, methyl 7,9-diacetyloxy-4-[5-[4-acetyloxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5-dihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
| Molecular Formula | C48H59NO19 |
|---|---|
| Molecular Weight | 953.37 g/mol |
| LogP | 3.8735 |
| Topological Polar Surface Area | 255.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 12 |
| Exact Mass | 953.3681 |
| Heavy Atoms | 68 |
| Complexity | 2363.4753 |
Chemical Identifiers
| CAS Number | 86651-71-0 |
|---|---|
| SMILES | CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC(=C4)OC(=O)C)OC(=O)C)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)OC(=O)C)N(C)C)O |
Product Overview
2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A (CAS 86651-71-0), with molecular formula C48H59NO19 and molecular weight 953.37 g/mol. IUPAC: methyl 7,9-diacetyloxy-4-[5-[4-acetyloxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5-dihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of 2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A
Property Insights of 2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A
The XLogP value of 3.8735 indicates that 2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 255.49 Ų indicates high polarity, suggesting 2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A has 2 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A?
The CAS number of 2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A is 86651-71-0.
What is the molecular formula of 2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A?
The molecular formula of 2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A is C48H59NO19.
What is the molecular weight of 2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A?
The molecular weight of 2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A is 953.37 g/mol.
Where can I buy 2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A?
You can request a quote for 2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A?
Yes, KEHONG BIO provides custom synthesis services for 2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.