4-O-Methylaclacinomycin N
TL;DR: 4-O-Methylaclacinomycin N (CAS 79146-61-5) is a chemical compound with molecular formula C43H57NO15 and molecular weight 827.37 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-5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5-dihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: 4-O-Methylaclacinomycin N, 4-O-Methylaclacinomycin M, (S)-3-Ethyl-4-methyl-pentanoic acid methyl ester, 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5-dihydroxy-6,11-dioxo-2-ethyl-7-methoxy-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2S-(2-alpha,5-beta,6-beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-xylo-hexopyranosyl)oxy)-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-, 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5-dihydroxy-7-methoxy-6,11-dioxo-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-(2alpha,5alpha,6beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, (1R-(1alpha,2beta,4beta))-
| Molecular Formula | C43H57NO15 |
|---|---|
| Molecular Weight | 827.37 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 827.3728 |
| Heavy Atoms | 59 |
| Complexity | 1500.0 |
Chemical Identifiers
| CAS Number | 79146-61-5 |
|---|---|
| SMILES | CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(C(O7)C)O)O)N(C)C)O |
| InChIKey | KVIIANFYTFTSTQ-UHFFFAOYSA-N |
Product Overview
4-O-Methylaclacinomycin N (CAS 79146-61-5), with molecular formula C43H57NO15 and molecular weight 827.37 g/mol. IUPAC: methyl 4-[4-(dimethylamino)-5-[4-hydroxy-5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5-dihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of 4-O-Methylaclacinomycin N
Property Insights of 4-O-Methylaclacinomycin N
The XLogP value of 4.1 indicates that 4-O-Methylaclacinomycin N is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 209.0 Ų indicates high polarity, suggesting 4-O-Methylaclacinomycin N may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-O-Methylaclacinomycin N has 4 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-O-Methylaclacinomycin N?
The CAS number of 4-O-Methylaclacinomycin N is 79146-61-5.
What is the molecular formula of 4-O-Methylaclacinomycin N?
The molecular formula of 4-O-Methylaclacinomycin N is C43H57NO15.
What is the molecular weight of 4-O-Methylaclacinomycin N?
The molecular weight of 4-O-Methylaclacinomycin N is 827.37 g/mol.
Where can I buy 4-O-Methylaclacinomycin N?
You can request a quote for 4-O-Methylaclacinomycin N directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-Methylaclacinomycin N?
Yes, KEHONG BIO provides custom synthesis services for 4-O-Methylaclacinomycin N and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.