4-tert-Butylphthalic anhydride
TL;DR: 4-tert-Butylphthalic anhydride (CAS 32703-79-0) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-benzofuran-1,3-dione
Also Known As: 4-tert-Butylphthalic anhydride, 5-(tert-Butyl)isobenzofuran-1,3-dione, 5-tert-butyl-2-benzofuran-1,3-dione, 4-t-butylphthalic anhydride, 3-tert-butylphtalic anhydride
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 32703-79-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)C(=O)OC2=O |
| InChIKey | YLJYVKLZVHWUCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-tert-Butylphthalic anhydride (CAS 32703-79-0), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 5-tert-butyl-2-benzofuran-1,3-dione.
Chemical Property Profile of 4-tert-Butylphthalic anhydride
Property Insights of 4-tert-Butylphthalic anhydride
The XLogP value of 3.0 indicates that 4-tert-Butylphthalic anhydride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 4-tert-Butylphthalic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butylphthalic anhydride has 0 hydrogen bond donor(s) and 3 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 anhydride?
The CAS number of 4-tert-Butylphthalic anhydride is 32703-79-0.
What is the molecular formula of 4-tert-Butylphthalic anhydride?
The molecular formula of 4-tert-Butylphthalic anhydride is C12H12O3.
What is the molecular weight of 4-tert-Butylphthalic anhydride?
The molecular weight of 4-tert-Butylphthalic anhydride is 204.08 g/mol.
Where can I buy 4-tert-Butylphthalic anhydride?
You can request a quote for 4-tert-Butylphthalic anhydride 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 anhydride?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butylphthalic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.