4-tert-Butylphthalic acid
TL;DR: 4-tert-Butylphthalic acid (CAS 14236-13-6) 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-butylphthalic acid
Also Known As: 4-(tert-Butyl)phthalic acid, 4-tert-Butylphthalic acid, 4-t-butylphthalic acid, 4-tertbutylphthalic acid, 4-(tert-Butyl)phthalicacid
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 14236-13-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)C(=O)O)C(=O)O |
| InChIKey | OZHQCWZLIYAJBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-tert-Butylphthalic acid (CAS 14236-13-6), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 4-tert-butylphthalic acid.
Chemical Property Profile of 4-tert-Butylphthalic acid
Property Insights of 4-tert-Butylphthalic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-Butylphthalic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-Butylphthalic acid. Following Lipinski's Rule of Five, 4-tert-Butylphthalic acid has 2 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 4-tert-Butylphthalic acid?
The CAS number of 4-tert-Butylphthalic acid is 14236-13-6.
What is the molecular formula of 4-tert-Butylphthalic acid?
The molecular formula of 4-tert-Butylphthalic acid is C12H14O4.
What is the molecular weight of 4-tert-Butylphthalic acid?
The molecular weight of 4-tert-Butylphthalic acid is 222.09 g/mol.
Where can I buy 4-tert-Butylphthalic acid?
You can request a quote for 4-tert-Butylphthalic 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-Butylphthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butylphthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.