1,2,3,4,5,6-Benzenehexacarboxylic acid, 1,3,5-tri-2-propen-1-yl ester
TL;DR: 1,2,3,4,5,6-Benzenehexacarboxylic acid, 1,3,5-tri-2-propen-1-yl ester (CAS 67952-51-6) is a chemical compound with molecular formula C21H18O12 and molecular weight 462.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-tris(prop-2-enoxycarbonyl)benzene-1,3,5-tricarboxylic acid
Also Known As: 1,3,5-Triallyl mellitate, 1,3,5-Triallyl trihydrogen benzenehexacarboxylate, 2,3,7-trimethyl-4H-quinoxalin-6-one, Benzenehexacarboxylic acid, 1,3,5-tri-2-propenyl ester, 1,2,3,4,5,6-Benzenehexacarboxylic acid, 1,3,5-tri-2-propen-1-yl ester
| Molecular Formula | C21H18O12 |
|---|---|
| Molecular Weight | 462.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 462.07983 |
| Heavy Atoms | 33 |
| Complexity | 717.0 |
Chemical Identifiers
| CAS Number | 67952-51-6 |
|---|---|
| SMILES | C=CCOC(=O)C1=C(C(=C(C(=C1C(=O)O)C(=O)OCC=C)C(=O)O)C(=O)OCC=C)C(=O)O |
| InChIKey | GOTWQVHNTVYUFR-UHFFFAOYSA-N |
Product Overview
1,2,3,4,5,6-Benzenehexacarboxylic acid, 1,3,5-tri-2-propen-1-yl ester (CAS 67952-51-6), with molecular formula C21H18O12 and molecular weight 462.08 g/mol. IUPAC: 2,4,6-tris(prop-2-enoxycarbonyl)benzene-1,3,5-tricarboxylic acid.
Chemical Property Profile of 1,2,3,4,5,6-Benzenehexacarboxylic acid, 1,3,5-tri-2-propen-1-yl ester
Property Insights of 1,2,3,4,5,6-Benzenehexacarboxylic acid, 1,3,5-tri-2-propen-1-yl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4,5,6-Benzenehexacarboxylic acid, 1,3,5-tri-2-propen-1-yl ester. The TPSA of 191.0 Ų indicates high polarity, suggesting 1,2,3,4,5,6-Benzenehexacarboxylic acid, 1,3,5-tri-2-propen-1-yl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,3,4,5,6-Benzenehexacarboxylic acid, 1,3,5-tri-2-propen-1-yl ester has 3 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 1,2,3,4,5,6-Benzenehexacarboxylic acid, 1,3,5-tri-2-propen-1-yl ester?
The CAS number of 1,2,3,4,5,6-Benzenehexacarboxylic acid, 1,3,5-tri-2-propen-1-yl ester is 67952-51-6.
What is the molecular formula of 1,2,3,4,5,6-Benzenehexacarboxylic acid, 1,3,5-tri-2-propen-1-yl ester?
The molecular formula of 1,2,3,4,5,6-Benzenehexacarboxylic acid, 1,3,5-tri-2-propen-1-yl ester is C21H18O12.
What is the molecular weight of 1,2,3,4,5,6-Benzenehexacarboxylic acid, 1,3,5-tri-2-propen-1-yl ester?
The molecular weight of 1,2,3,4,5,6-Benzenehexacarboxylic acid, 1,3,5-tri-2-propen-1-yl ester is 462.08 g/mol.
Where can I buy 1,2,3,4,5,6-Benzenehexacarboxylic acid, 1,3,5-tri-2-propen-1-yl ester?
You can request a quote for 1,2,3,4,5,6-Benzenehexacarboxylic acid, 1,3,5-tri-2-propen-1-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,5,6-Benzenehexacarboxylic acid, 1,3,5-tri-2-propen-1-yl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5,6-Benzenehexacarboxylic acid, 1,3,5-tri-2-propen-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.