4,6-Dimethoxy-phthalide
TL;DR: 4,6-Dimethoxy-phthalide (CAS 58545-97-4) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethoxy-3H-2-benzofuran-1-one
Also Known As: 4,6-dimethoxy-phthalide, 4,6-dimethoxyisobenzofuran-1(3h)-one, 4,6-dimethoxyphthalide, 4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-one, 4,6-dimethoxyphth alide
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 58545-97-4 |
|---|---|
| SMILES | COC1=CC2=C(COC2=O)C(=C1)OC |
| InChIKey | FJPMLTZXTKBVKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Dimethoxy-phthalide (CAS 58545-97-4), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 4,6-dimethoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 4,6-Dimethoxy-phthalide
Property Insights of 4,6-Dimethoxy-phthalide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dimethoxy-phthalide. With a topological polar surface area (TPSA) of 44.8 Ų, 4,6-Dimethoxy-phthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethoxy-phthalide has 0 hydrogen bond donor(s) and 4 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 4,6-Dimethoxy-phthalide?
The CAS number of 4,6-Dimethoxy-phthalide is 58545-97-4.
What is the molecular formula of 4,6-Dimethoxy-phthalide?
The molecular formula of 4,6-Dimethoxy-phthalide is C10H10O4.
What is the molecular weight of 4,6-Dimethoxy-phthalide?
The molecular weight of 4,6-Dimethoxy-phthalide is 194.06 g/mol.
Where can I buy 4,6-Dimethoxy-phthalide?
You can request a quote for 4,6-Dimethoxy-phthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethoxy-phthalide?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethoxy-phthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.