4-O-Methylaclacinomycin T
TL;DR: 4-O-Methylaclacinomycin T (CAS 80930-65-0) is a chemical compound with molecular formula C31H37NO10 and molecular weight 583.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(dimethylamino)-5-hydroxy-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 T, 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-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-, Methyl 2-ethyl-2,5-dihydroxy-7-methoxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate, methyl 4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5-dihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
| Molecular Formula | C31H37NO10 |
|---|---|
| Molecular Weight | 583.24 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 583.24176 |
| Heavy Atoms | 42 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 80930-65-0 |
|---|---|
| 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)O)N(C)C)O |
| InChIKey | WBMXRYALFPXLMA-UHFFFAOYSA-N |
Product Overview
4-O-Methylaclacinomycin T (CAS 80930-65-0), with molecular formula C31H37NO10 and molecular weight 583.24 g/mol. IUPAC: methyl 4-[4-(dimethylamino)-5-hydroxy-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 T
Property Insights of 4-O-Methylaclacinomycin T
The XLogP value of 3.4 indicates that 4-O-Methylaclacinomycin T is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting 4-O-Methylaclacinomycin T may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-O-Methylaclacinomycin T has 3 hydrogen bond donor(s) and 11 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 T?
The CAS number of 4-O-Methylaclacinomycin T is 80930-65-0.
What is the molecular formula of 4-O-Methylaclacinomycin T?
The molecular formula of 4-O-Methylaclacinomycin T is C31H37NO10.
What is the molecular weight of 4-O-Methylaclacinomycin T?
The molecular weight of 4-O-Methylaclacinomycin T is 583.24 g/mol.
Where can I buy 4-O-Methylaclacinomycin T?
You can request a quote for 4-O-Methylaclacinomycin T 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 T?
Yes, KEHONG BIO provides custom synthesis services for 4-O-Methylaclacinomycin T and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.