3,6-Dichlorobenzene-1,2,4,5-tetracarboxylic acid
TL;DR: 3,6-Dichlorobenzene-1,2,4,5-tetracarboxylic acid (CAS 21021-54-5) is a chemical compound with molecular formula C10H4Cl2O8 and molecular weight 321.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dichlorobenzene-1,2,4,5-tetracarboxylic acid
Also Known As: dichloropyromellitic acid, BAS 00132872, 3,6-dichlorobenzene-1,2,4,5-tetracarboxylic acid, BIM-0013312.P001, 3,6-Dichloro-benzene-1,2,4,5-tetracarboxylic acid
| Molecular Formula | C10H4Cl2O8 |
|---|---|
| Molecular Weight | 321.93 g/mol |
| LogP | 1.7862 |
| Topological Polar Surface Area | 149.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.9283 |
| Heavy Atoms | 20 |
| Complexity | 553.7068 |
Chemical Identifiers
| CAS Number | 21021-54-5 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)C(=O)O)C(=O)O)Cl)C(=O)O)C(=O)O |
Product Overview
3,6-Dichlorobenzene-1,2,4,5-tetracarboxylic acid (CAS 21021-54-5), with molecular formula C10H4Cl2O8 and molecular weight 321.93 g/mol. IUPAC: 3,6-dichlorobenzene-1,2,4,5-tetracarboxylic acid.
Chemical Property Profile of 3,6-Dichlorobenzene-1,2,4,5-tetracarboxylic acid
Property Insights of 3,6-Dichlorobenzene-1,2,4,5-tetracarboxylic acid
The XLogP value of 1.7862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dichlorobenzene-1,2,4,5-tetracarboxylic acid. The TPSA of 149.2 Ų indicates high polarity, suggesting 3,6-Dichlorobenzene-1,2,4,5-tetracarboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,6-Dichlorobenzene-1,2,4,5-tetracarboxylic acid has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,6-Dichlorobenzene-1,2,4,5-tetracarboxylic acid?
The CAS number of 3,6-Dichlorobenzene-1,2,4,5-tetracarboxylic acid is 21021-54-5.
What is the molecular formula of 3,6-Dichlorobenzene-1,2,4,5-tetracarboxylic acid?
The molecular formula of 3,6-Dichlorobenzene-1,2,4,5-tetracarboxylic acid is C10H4Cl2O8.
What is the molecular weight of 3,6-Dichlorobenzene-1,2,4,5-tetracarboxylic acid?
The molecular weight of 3,6-Dichlorobenzene-1,2,4,5-tetracarboxylic acid is 321.93 g/mol.
Where can I buy 3,6-Dichlorobenzene-1,2,4,5-tetracarboxylic acid?
You can request a quote for 3,6-Dichlorobenzene-1,2,4,5-tetracarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dichlorobenzene-1,2,4,5-tetracarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dichlorobenzene-1,2,4,5-tetracarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.