3,6-Dimethylphthalic anhydride
TL;DR: 3,6-Dimethylphthalic anhydride (CAS 5463-50-3) is a chemical compound with molecular formula C10H8O3 and molecular weight 176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dimethyl-2-benzofuran-1,3-dione
Also Known As: 3,6-Dimethylphthalic anhydride, 4,7-dimethylisobenzofuran-1,3-dione, 4,7-Dimethyl-2-benzofuran-1,3-dione, 1, 4,7-dimethyl-, 1,3-Isobenzofurandione, 4,7-dimethyl-
| Molecular Formula | C10H8O3 |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.04735 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 5463-50-3 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)C)C(=O)OC2=O |
| InChIKey | WEPCDISQBQXOBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6-Dimethylphthalic anhydride (CAS 5463-50-3), with molecular formula C10H8O3 and molecular weight 176.05 g/mol. IUPAC: 4,7-dimethyl-2-benzofuran-1,3-dione.
Chemical Property Profile of 3,6-Dimethylphthalic anhydride
Property Insights of 3,6-Dimethylphthalic anhydride
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dimethylphthalic anhydride. With a topological polar surface area (TPSA) of 43.4 Ų, 3,6-Dimethylphthalic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dimethylphthalic 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 3,6-Dimethylphthalic anhydride?
The CAS number of 3,6-Dimethylphthalic anhydride is 5463-50-3.
What is the molecular formula of 3,6-Dimethylphthalic anhydride?
The molecular formula of 3,6-Dimethylphthalic anhydride is C10H8O3.
What is the molecular weight of 3,6-Dimethylphthalic anhydride?
The molecular weight of 3,6-Dimethylphthalic anhydride is 176.05 g/mol.
Where can I buy 3,6-Dimethylphthalic anhydride?
You can request a quote for 3,6-Dimethylphthalic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dimethylphthalic anhydride?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dimethylphthalic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.