4-Methylphthalic anhydride
TL;DR: 4-Methylphthalic anhydride (CAS 19438-61-0) is a chemical compound with molecular formula C9H6O3 and molecular weight 162.0317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-2-benzofuran-1,3-dione
Also Known As: 4-Methylphthalic anhydride, 5-METHYLISOBENZOFURAN-1,3-DIONE, 5-Methyl-2-benzofuran-1,3-dione, Buflomedil, Ethyl-2-benzofuran
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H6O3 |
| Molecular Weight | 162.0317 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.0317 Da |
| Heavy Atoms | 12 |
| Complexity | 234.0 |
| SMILES | CC1=CC2=C(C=C1)C(=O)OC2=O |
| InChIKey | ZOXBWJMCXHTKNU-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methylphthalic anhydride
Property Insights of 4-Methylphthalic anhydride
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylphthalic anhydride. With a topological polar surface area (TPSA) of 43.4 Ų, 4-Methylphthalic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphthalic 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
What is the CAS number of 4-Methylphthalic anhydride?
The CAS number of 4-Methylphthalic anhydride is 19438-61-0.
What is the molecular formula of 4-Methylphthalic anhydride?
The molecular formula of 4-Methylphthalic anhydride is C9H6O3.
What is the molecular weight of 4-Methylphthalic anhydride?
The molecular weight of 4-Methylphthalic anhydride is 162.0317 g/mol.
Where can I buy 4-Methylphthalic anhydride?
You can request a quote for 4-Methylphthalic anhydride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylphthalic anhydride?
Yes, CoreyChem provides custom synthesis services for 4-Methylphthalic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.