1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, sodium salt (1:3)
TL;DR: 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, sodium salt (1:3) (CAS 68226-91-5) is a chemical compound with molecular formula C17H7Na3O9 and molecular weight 423.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-(4-carboxy-3-carboxylatobenzoyl)phthalate
Also Known As: Trisodium 4,4'-carbonyldiphthalate, Trisodium hydrogen 4,4'-carbonylbisphthalate, sodium hydrogen 4,4'-carbonyldiphthalate(3:1:1), 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, sodium salt (1:3), 4,4'-Carbonylbis(1,2-benzenedicarboxylic acid), trisodium salt
| Molecular Formula | C17H7Na3O9 |
|---|---|
| Molecular Weight | 423.98 g/mol |
| LogP | -11.28 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.9783 |
| Heavy Atoms | 29 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 68226-91-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)O.[Na+].[Na+].[Na+] |
| InChIKey | UBLAECHSLZLTKW-UHFFFAOYSA-K |
Product Overview
1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, sodium salt (1:3) (CAS 68226-91-5), with molecular formula C17H7Na3O9 and molecular weight 423.98 g/mol. IUPAC: trisodium;4-(4-carboxy-3-carboxylatobenzoyl)phthalate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, sodium salt (1:3)
Property Insights of 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, sodium salt (1:3)
The XLogP value of -11.28 indicates that 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, sodium salt (1:3) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, sodium salt (1:3) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, sodium salt (1:3) has 1 hydrogen bond donor(s) and 9 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 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, sodium salt (1:3)?
The CAS number of 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, sodium salt (1:3) is 68226-91-5.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, sodium salt (1:3)?
The molecular formula of 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, sodium salt (1:3) is C17H7Na3O9.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, sodium salt (1:3)?
The molecular weight of 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, sodium salt (1:3) is 423.98 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, sodium salt (1:3)?
You can request a quote for 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, sodium salt (1:3) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, sodium salt (1:3)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, sodium salt (1:3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.