1-Naphthacenecarboxylic acid, 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-, methyl ester
TL;DR: 1-Naphthacenecarboxylic acid, 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-, methyl ester (CAS 54725-40-5) is a chemical compound with molecular formula C30H28O13 and molecular weight 596.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5,7,10,12-tetraacetyloxy-2-ethyl-2-hydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: 1-Naphthacenecarboxylic acid, 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-, methyl ester, Methyl 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-2-hydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate, 5,7,10,12-Tetrakis -2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-1-naphthacenecarboxylicacidmethylester, 5,7,10,12-Tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-1-naphthacenecarboxylic acid methyl ester, methyl 5,7,10,12-tetraacetyloxy-2-ethyl-2-hydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
| Molecular Formula | C30H28O13 |
|---|---|
| Molecular Weight | 596.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 596.153 |
| Heavy Atoms | 43 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 54725-40-5 |
|---|---|
| SMILES | CCC1(CCC2=C(C1C(=O)OC)C(=C3C(=C2OC(=O)C)C(=O)C4=C(C=CC(=C4C3=O)OC(=O)C)OC(=O)C)OC(=O)C)O |
| InChIKey | LSGRWAOQBFYXHU-UHFFFAOYSA-N |
Product Overview
1-Naphthacenecarboxylic acid, 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-, methyl ester (CAS 54725-40-5), with molecular formula C30H28O13 and molecular weight 596.15 g/mol. IUPAC: methyl 5,7,10,12-tetraacetyloxy-2-ethyl-2-hydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of 1-Naphthacenecarboxylic acid, 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-, methyl ester
Property Insights of 1-Naphthacenecarboxylic acid, 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-, methyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Naphthacenecarboxylic acid, 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-, methyl ester. The TPSA of 186.0 Ų indicates high polarity, suggesting 1-Naphthacenecarboxylic acid, 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-, methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Naphthacenecarboxylic acid, 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-, methyl ester has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Naphthacenecarboxylic acid, 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-, methyl ester?
The CAS number of 1-Naphthacenecarboxylic acid, 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-, methyl ester is 54725-40-5.
What is the molecular formula of 1-Naphthacenecarboxylic acid, 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-, methyl ester?
The molecular formula of 1-Naphthacenecarboxylic acid, 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-, methyl ester is C30H28O13.
What is the molecular weight of 1-Naphthacenecarboxylic acid, 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-, methyl ester?
The molecular weight of 1-Naphthacenecarboxylic acid, 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-, methyl ester is 596.15 g/mol.
Where can I buy 1-Naphthacenecarboxylic acid, 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-, methyl ester?
You can request a quote for 1-Naphthacenecarboxylic acid, 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthacenecarboxylic acid, 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthacenecarboxylic acid, 5,7,10,12-tetrakis(acetyloxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-6,11-dioxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.