7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one
TL;DR: 7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one (CAS 633337-82-3) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-4,6-dimethyl-3H-2-benzofuran-1-one
Also Known As: 7-methoxy-4,6-dimethyl phthalide, 4,6-Dimethyl-7-methoxyisobenzofuran-1(3H)-one, 7-methoxy-4,6-dimethyl-3H-2-benzofuran-1-one, 7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one, J2.233.720C
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.98244 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 407.48395 |
Chemical Identifiers
| CAS Number | 633337-82-3 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1COC2=O)OC)C |
Product Overview
7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one (CAS 633337-82-3), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 7-methoxy-4,6-dimethyl-3H-2-benzofuran-1-one.
Chemical Property Profile of 7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one
Property Insights of 7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one
The XLogP value of 1.98244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one. With a topological polar surface area (TPSA) of 35.53 Ų, 7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one 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 7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one?
The CAS number of 7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one is 633337-82-3.
What is the molecular formula of 7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one?
The molecular formula of 7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one is C11H12O3.
What is the molecular weight of 7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one?
The molecular weight of 7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one is 192.08 g/mol.
Where can I buy 7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one?
You can request a quote for 7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.