N-Didemethylaclacinomycin A
TL;DR: N-Didemethylaclacinomycin A (CAS 67508-84-3) is a chemical compound with molecular formula C40H49NO15 and molecular weight 783.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-amino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-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: N-Didemethylaclacinomycin A, Antibiotic MA144 K1, N,N-Didemethylaclacinomycin A, MA144 K1, 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-6,11-dioxo-4-((O-2,3,6-trideoxy-alpha-L-glycero-hexopyranos-4-ulos-1-yl(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-amino-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-,methyl ester, (1R-(1-alpha,2-beta,4-beta))-
| Molecular Formula | C40H49NO15 |
|---|---|
| Molecular Weight | 783.31 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 240.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 783.31024 |
| Heavy Atoms | 56 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 67508-84-3 |
|---|---|
| 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(=O)C(O7)C)O)N)O |
| InChIKey | UTUWPAUJZCCHLM-UHFFFAOYSA-N |
Product Overview
N-Didemethylaclacinomycin A (CAS 67508-84-3), with molecular formula C40H49NO15 and molecular weight 783.31 g/mol. IUPAC: methyl 4-[4-amino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-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 N-Didemethylaclacinomycin A
Property Insights of N-Didemethylaclacinomycin A
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Didemethylaclacinomycin A. The TPSA of 240.0 Ų indicates high polarity, suggesting N-Didemethylaclacinomycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Didemethylaclacinomycin A 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 N-Didemethylaclacinomycin A?
The CAS number of N-Didemethylaclacinomycin A is 67508-84-3.
What is the molecular formula of N-Didemethylaclacinomycin A?
The molecular formula of N-Didemethylaclacinomycin A is C40H49NO15.
What is the molecular weight of N-Didemethylaclacinomycin A?
The molecular weight of N-Didemethylaclacinomycin A is 783.31 g/mol.
Where can I buy N-Didemethylaclacinomycin A?
You can request a quote for N-Didemethylaclacinomycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Didemethylaclacinomycin A?
Yes, KEHONG BIO provides custom synthesis services for N-Didemethylaclacinomycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.