3-Methyl-1(3H)-isobenzofuranone
TL;DR: 3-Methyl-1(3H)-isobenzofuranone (CAS 3453-64-3) is a chemical compound with molecular formula C9H8O2 and molecular weight 148.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-3H-2-benzofuran-1-one
Also Known As: 3-methylphthalide, 3-methyl-2-benzofuran-1(3H)-one, 3-METHYL-1(3H)-ISOBENZOFURANONE, Phthalide, 3-methyl, 3-methylisobenzofuran-1(3h)-one
| Molecular Formula | C9H8O2 |
|---|---|
| Molecular Weight | 148.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.05243 |
| Heavy Atoms | 11 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 3453-64-3 |
|---|---|
| SMILES | CC1C2=CC=CC=C2C(=O)O1 |
| InChIKey | XJVDIMLQFRPIMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-1(3H)-isobenzofuranone (CAS 3453-64-3), with molecular formula C9H8O2 and molecular weight 148.05 g/mol. IUPAC: 3-methyl-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-Methyl-1(3H)-isobenzofuranone
Property Insights of 3-Methyl-1(3H)-isobenzofuranone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1(3H)-isobenzofuranone. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methyl-1(3H)-isobenzofuranone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1(3H)-isobenzofuranone has 0 hydrogen bond donor(s) and 2 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-Methyl-1(3H)-isobenzofuranone?
The CAS number of 3-Methyl-1(3H)-isobenzofuranone is 3453-64-3.
What is the molecular formula of 3-Methyl-1(3H)-isobenzofuranone?
The molecular formula of 3-Methyl-1(3H)-isobenzofuranone is C9H8O2.
What is the molecular weight of 3-Methyl-1(3H)-isobenzofuranone?
The molecular weight of 3-Methyl-1(3H)-isobenzofuranone is 148.05 g/mol.
Where can I buy 3-Methyl-1(3H)-isobenzofuranone?
You can request a quote for 3-Methyl-1(3H)-isobenzofuranone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1(3H)-isobenzofuranone?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1(3H)-isobenzofuranone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.