3-甲基邻苯二甲酸酐
TL;DR: 3-甲基邻苯二甲酸酐 (CAS 4792-30-7) is a chemical compound with molecular formula C9H6O3 and molecular weight 162.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基邻苯二甲酸酐
4-methyl-2-benzofuran-1,3-dione
Also Known As: 3-Methylphthalic anhydride, 4-methylisobenzofuran-1,3-dione, Phthalic anhydride, 3-methyl-, 1,3-Isobenzofurandione, 4-methyl-, 3-Methyl phthalic anhydride
| Molecular Formula | C9H6O3 |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.0317 |
| Heavy Atoms | 12 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 4792-30-7 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=O)OC2=O |
| InChIKey | TWWAWPHAOPTQEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基邻苯二甲酸酐 (CAS 4792-30-7), with molecular formula C9H6O3 and molecular weight 162.03 g/mol. IUPAC: 4-methyl-2-benzofuran-1,3-dione.
Chemical Property Profile of 3-甲基邻苯二甲酸酐
Property Insights of 3-甲基邻苯二甲酸酐
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基邻苯二甲酸酐. With a topological polar surface area (TPSA) of 43.4 Ų, 3-甲基邻苯二甲酸酐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基邻苯二甲酸酐 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-甲基邻苯二甲酸酐?
The CAS number of 3-甲基邻苯二甲酸酐 is 4792-30-7.
What is the molecular formula of 3-甲基邻苯二甲酸酐?
The molecular formula of 3-甲基邻苯二甲酸酐 is C9H6O3.
What is the molecular weight of 3-甲基邻苯二甲酸酐?
The molecular weight of 3-甲基邻苯二甲酸酐 is 162.03 g/mol.
Where can I buy 3-甲基邻苯二甲酸酐?
You can request a quote for 3-甲基邻苯二甲酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基邻苯二甲酸酐?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基邻苯二甲酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.