7-Methoxy-3-methylphthalide
TL;DR: 7-Methoxy-3-methylphthalide (CAS 4938-06-1) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-3-methyl-3H-2-benzofuran-1-one
Also Known As: 7-methoxy-3-methylphthalide, 1(3H)-Isobenzofuranone, 7-methoxy-3-methyl-, 7-methoxy-3-methyl-1(3h)-isobenzofuranone, 7-methoxy-3-methyl-3H-2-benzofuran-1-one, 7-methoxy-3-methyl-3H-isobenzofuran-1-one
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 4938-06-1 |
|---|---|
| SMILES | CC1C2=C(C(=CC=C2)OC)C(=O)O1 |
| InChIKey | KWGYZSKPRDPPNX-UHFFFAOYSA-N |
Product Overview
7-Methoxy-3-methylphthalide (CAS 4938-06-1), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 7-methoxy-3-methyl-3H-2-benzofuran-1-one.
Chemical Property Profile of 7-Methoxy-3-methylphthalide
Property Insights of 7-Methoxy-3-methylphthalide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methoxy-3-methylphthalide. With a topological polar surface area (TPSA) of 35.5 Ų, 7-Methoxy-3-methylphthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methoxy-3-methylphthalide 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-3-methylphthalide?
The CAS number of 7-Methoxy-3-methylphthalide is 4938-06-1.
What is the molecular formula of 7-Methoxy-3-methylphthalide?
The molecular formula of 7-Methoxy-3-methylphthalide is C10H10O3.
What is the molecular weight of 7-Methoxy-3-methylphthalide?
The molecular weight of 7-Methoxy-3-methylphthalide is 178.06 g/mol.
Where can I buy 7-Methoxy-3-methylphthalide?
You can request a quote for 7-Methoxy-3-methylphthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methoxy-3-methylphthalide?
Yes, KEHONG BIO provides custom synthesis services for 7-Methoxy-3-methylphthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.