7-methyl-2-benzofuran-1(3H)-one
TL;DR: 7-methyl-2-benzofuran-1(3H)-one (CAS 2211-84-9) 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.
7-methyl-3H-2-benzofuran-1-one
Also Known As: 7-methylphthalide, 7-methyl-2-benzofuran-1(3H)-one, 7-Methylisobenzofuran-1(3H)-one, 7-Methylphthalid, 7-METHYL PHTHALIDE
| Molecular Formula | C9H8O2 |
|---|---|
| Molecular Weight | 148.05 g/mol |
| LogP | 1.7 |
| 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 | 2211-84-9 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)COC2=O |
| InChIKey | QSLQEQHQWZHUEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-methyl-2-benzofuran-1(3H)-one (CAS 2211-84-9), with molecular formula C9H8O2 and molecular weight 148.05 g/mol. IUPAC: 7-methyl-3H-2-benzofuran-1-one.
Chemical Property Profile of 7-methyl-2-benzofuran-1(3H)-one
Property Insights of 7-methyl-2-benzofuran-1(3H)-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methyl-2-benzofuran-1(3H)-one. With a topological polar surface area (TPSA) of 26.3 Ų, 7-methyl-2-benzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-methyl-2-benzofuran-1(3H)-one 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 7-methyl-2-benzofuran-1(3H)-one?
The CAS number of 7-methyl-2-benzofuran-1(3H)-one is 2211-84-9.
What is the molecular formula of 7-methyl-2-benzofuran-1(3H)-one?
The molecular formula of 7-methyl-2-benzofuran-1(3H)-one is C9H8O2.
What is the molecular weight of 7-methyl-2-benzofuran-1(3H)-one?
The molecular weight of 7-methyl-2-benzofuran-1(3H)-one is 148.05 g/mol.
Where can I buy 7-methyl-2-benzofuran-1(3H)-one?
You can request a quote for 7-methyl-2-benzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methyl-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-methyl-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.