5,7-Dimethoxyphthalide
TL;DR: 5,7-Dimethoxyphthalide (CAS 3465-69-8) 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.
5,7-dimethoxy-3H-2-benzofuran-1-one
Also Known As: 5,7-dimethoxyphthalide, 5,7-Dimethoxyisobenzofuran-1(3H)-one, Glucoerucin, 5,7-dimethoxy-2-benzofuran-1(3H)-one, 5-Methoxy-7-methoxyphthalide
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.3742 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 383.95355 |
Chemical Identifiers
| CAS Number | 3465-69-8 |
|---|---|
| SMILES | COC1=CC2=C(C(=C1)OC)C(=O)OC2 |
Product Overview
5,7-Dimethoxyphthalide (CAS 3465-69-8), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 5,7-dimethoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 5,7-Dimethoxyphthalide
Property Insights of 5,7-Dimethoxyphthalide
The XLogP value of 1.3742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Dimethoxyphthalide. With a topological polar surface area (TPSA) of 44.76 Ų, 5,7-Dimethoxyphthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Dimethoxyphthalide 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 5,7-Dimethoxyphthalide?
The CAS number of 5,7-Dimethoxyphthalide is 3465-69-8.
What is the molecular formula of 5,7-Dimethoxyphthalide?
The molecular formula of 5,7-Dimethoxyphthalide is C10H10O4.
What is the molecular weight of 5,7-Dimethoxyphthalide?
The molecular weight of 5,7-Dimethoxyphthalide is 194.06 g/mol.
Where can I buy 5,7-Dimethoxyphthalide?
You can request a quote for 5,7-Dimethoxyphthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dimethoxyphthalide?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dimethoxyphthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.