5-Tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid
TL;DR: 5-Tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid (CAS 157436-33-4) is a chemical compound with molecular formula C12H14O5 and molecular weight 238.08412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid
Also Known As: 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid, 5-(tert-butyl)-2-hydroxyisophthalic acid, 5-tert-Butyl-2-hydroxyisophthalic acid, 5-tert-butyl-2-hydroxybenzene-1,3-dioic acid, J2.620.062H
Technical Specifications
| Molecular Formula | C12H14O5 |
| Molecular Weight | 238.08412 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.08412 Da |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)C(=O)O)O)C(=O)O |
| InChIKey | JPPQSYIWMHPAED-UHFFFAOYSA-N |
Chemical Property Profile of 5-Tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid
Property Insights of 5-Tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, 5-Tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid?
The CAS number of 5-Tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid is 157436-33-4.
What is the molecular formula of 5-Tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid?
The molecular formula of 5-Tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid is C12H14O5.
What is the molecular weight of 5-Tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid?
The molecular weight of 5-Tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid is 238.08412 g/mol.
Where can I buy 5-Tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid?
You can request a quote for 5-Tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-Tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.