Aclacinomycin A-oxime
TL;DR: Aclacinomycin A-oxime (CAS 80930-66-1) is a chemical compound with molecular formula C42H54N2O15 and molecular weight 826.35 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-[(5Z)-5-hydroxyimino-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: Aclacinomycin A-oxime, 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2S-trans)-tetrahydro-5-(hydroxyimino)-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-
| Molecular Formula | C42H54N2O15 |
|---|---|
| Molecular Weight | 826.35 g/mol |
| LogP | 3.4188 |
| Topological Polar Surface Area | 232.57 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Exact Mass | 826.3524 |
| Heavy Atoms | 59 |
| Complexity | 1976.3657 |
Chemical Identifiers
| CAS Number | 80930-66-1 |
|---|---|
| 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)OC7CC/C(=N/O)/C(O7)C)O)N(C)C)O |
Product Overview
Aclacinomycin A-oxime (CAS 80930-66-1), with molecular formula C42H54N2O15 and molecular weight 826.35 g/mol. IUPAC: methyl 4-[4-(dimethylamino)-5-[4-hydroxy-5-[(5Z)-5-hydroxyimino-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-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 Aclacinomycin A-oxime
Property Insights of Aclacinomycin A-oxime
The XLogP value of 3.4188 indicates that Aclacinomycin A-oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 232.57 Ų indicates high polarity, suggesting Aclacinomycin A-oxime may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aclacinomycin A-oxime has 5 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aclacinomycin A-oxime?
The CAS number of Aclacinomycin A-oxime is 80930-66-1.
What is the molecular formula of Aclacinomycin A-oxime?
The molecular formula of Aclacinomycin A-oxime is C42H54N2O15.
What is the molecular weight of Aclacinomycin A-oxime?
The molecular weight of Aclacinomycin A-oxime is 826.35 g/mol.
Where can I buy Aclacinomycin A-oxime?
You can request a quote for Aclacinomycin A-oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aclacinomycin A-oxime?
Yes, KEHONG BIO provides custom synthesis services for Aclacinomycin A-oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.