![1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester structure](/static/products/5093/50939-70-3.webp)
1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester
TL;DR: 1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester (CAS 50939-70-3) is a chemical compound with molecular formula C30H31NO11 and molecular weight 581.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl 5-(1,4-dimethoxy-1,4-dioxobutan-2-yl)oxy-4-(4,6,8-trimethylquinolin-2-yl)benzene-1,2,3-tricarboxylate
Also Known As: 1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester, 5-[3-Methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolyl)-1,2,3-benzenetricarboxylic acid trimethyl ester, 1,2,3-trimethyl 5-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)oxy]-4-(4,6,8-trimethylquinolin-2-yl)benzene-1,2,3-tricarboxylate, 5-[3-Methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-1,2,3-benzenetricarboxylic acid trimethyl ester, trimethyl 5-(1,4-dimethoxy-1,4-dioxobutan-2-yl)oxy-4-(4,6,8-trimethylquinolin-2-yl)benzene-1,2,3-tricarboxylate
| Molecular Formula | C30H31NO11 |
|---|---|
| Molecular Weight | 581.19 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 581.1897 |
| Heavy Atoms | 42 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 50939-70-3 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C(=CC(=N2)C3=C(C=C(C(=C3C(=O)OC)C(=O)OC)C(=O)OC)OC(CC(=O)OC)C(=O)OC)C)C |
| InChIKey | HBIPRWRUASCNJH-UHFFFAOYSA-N |
Product Overview
1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester (CAS 50939-70-3), with molecular formula C30H31NO11 and molecular weight 581.19 g/mol. IUPAC: trimethyl 5-(1,4-dimethoxy-1,4-dioxobutan-2-yl)oxy-4-(4,6,8-trimethylquinolin-2-yl)benzene-1,2,3-tricarboxylate.
Chemical Property Profile of 1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester
Property Insights of 1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester
The XLogP value of 4.3 indicates that 1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting 1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester?
The CAS number of 1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester is 50939-70-3.
What is the molecular formula of 1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester?
The molecular formula of 1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester is C30H31NO11.
What is the molecular weight of 1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester?
The molecular weight of 1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester is 581.19 g/mol.
Where can I buy 1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester?
You can request a quote for 1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Benzenetricarboxylic acid, 5-[3-methoxy-1-(methoxycarbonyl)-3-oxopropoxy]-4-(4,6,8-trimethyl-2-quinolinyl)-, trimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.