1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2)
TL;DR: 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2) (CAS 15968-02-2) is a chemical compound with molecular formula C12H12K2O4 and molecular weight 298.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;5-tert-butylbenzene-1,3-dicarboxylate
Also Known As: Dipotassium 5-tert-butylisophthalate, Isophthalic acid, 5-tert-butyl-, dipotassium salt, 5-tert-Butylisophthalic acid dipotassium salt, dipotassium 5-tert-butylbenzene-1,3-dicarboxylate, dipotassium;5-tert-butylbenzene-1,3-dicarboxylate
| Molecular Formula | C12H12K2O4 |
|---|---|
| Molecular Weight | 298.00 g/mol |
| LogP | -6.28 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.00098 |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 15968-02-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].[K+].[K+] |
| InChIKey | WSEOCKWZDYMTPH-UHFFFAOYSA-L |
Product Overview
1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2) (CAS 15968-02-2), with molecular formula C12H12K2O4 and molecular weight 298.00 g/mol. IUPAC: dipotassium;5-tert-butylbenzene-1,3-dicarboxylate.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2)
Property Insights of 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2)
The XLogP value of -6.28 indicates that 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2). Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2) has 0 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 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2)?
The CAS number of 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2) is 15968-02-2.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2)?
The molecular formula of 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2) is C12H12K2O4.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2)?
The molecular weight of 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2) is 298.00 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2)?
You can request a quote for 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.