4-Tert-butylisophthalic acid
TL;DR: 4-Tert-butylisophthalic acid (CAS 62722-24-1) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butylbenzene-1,3-dicarboxylic acid
Also Known As: 4-tert-butylisophthalic acid, 4-(tert-Butyl)isophthalic acid, 4-tert-butylbenzene-1,3-dicarboxylic acid, 4-tert-butyl-1,3-benzenedicarboxylic acid, AE-562/12222705
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.3805 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 440.82224 |
Chemical Identifiers
| CAS Number | 62722-24-1 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=C(C=C1)C(=O)O)C(=O)O |
Product Overview
4-Tert-butylisophthalic acid (CAS 62722-24-1), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 4-tert-butylbenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 4-Tert-butylisophthalic acid
Property Insights of 4-Tert-butylisophthalic acid
The XLogP value of 2.3805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Tert-butylisophthalic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Tert-butylisophthalic acid. Following Lipinski's Rule of Five, 4-Tert-butylisophthalic acid has 2 hydrogen bond donor(s) and 2 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 4-Tert-butylisophthalic acid?
The CAS number of 4-Tert-butylisophthalic acid is 62722-24-1.
What is the molecular formula of 4-Tert-butylisophthalic acid?
The molecular formula of 4-Tert-butylisophthalic acid is C12H14O4.
What is the molecular weight of 4-Tert-butylisophthalic acid?
The molecular weight of 4-Tert-butylisophthalic acid is 222.09 g/mol.
Where can I buy 4-Tert-butylisophthalic acid?
You can request a quote for 4-Tert-butylisophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butylisophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butylisophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.