4,5,6-trimethoxy-2-benzofuran-1(3H)-one
TL;DR: 4,5,6-trimethoxy-2-benzofuran-1(3H)-one (CAS 4087-80-3) is a chemical compound with molecular formula C11H12O5 and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6-trimethoxy-3H-2-benzofuran-1-one
Also Known As: 4,5,6-Trimethoxyisobenzofuran-1(3H)-one, 4,5,6-trimethoxy-2-benzofuran-1(3H)-one, 4,5,6-Trimethoxyphthalide, 4,5,6-Trimethoxy-3H-isobenzofuran-1-one, ChemDiv1_019998
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.06847 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 4087-80-3 |
|---|---|
| SMILES | COC1=C(C(=C2COC(=O)C2=C1)OC)OC |
| InChIKey | SRBRUXANGPVKMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5,6-trimethoxy-2-benzofuran-1(3H)-one (CAS 4087-80-3), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: 4,5,6-trimethoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 4,5,6-trimethoxy-2-benzofuran-1(3H)-one
Property Insights of 4,5,6-trimethoxy-2-benzofuran-1(3H)-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6-trimethoxy-2-benzofuran-1(3H)-one. With a topological polar surface area (TPSA) of 54.0 Ų, 4,5,6-trimethoxy-2-benzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6-trimethoxy-2-benzofuran-1(3H)-one has 0 hydrogen bond donor(s) and 5 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 4,5,6-trimethoxy-2-benzofuran-1(3H)-one?
The CAS number of 4,5,6-trimethoxy-2-benzofuran-1(3H)-one is 4087-80-3.
What is the molecular formula of 4,5,6-trimethoxy-2-benzofuran-1(3H)-one?
The molecular formula of 4,5,6-trimethoxy-2-benzofuran-1(3H)-one is C11H12O5.
What is the molecular weight of 4,5,6-trimethoxy-2-benzofuran-1(3H)-one?
The molecular weight of 4,5,6-trimethoxy-2-benzofuran-1(3H)-one is 224.07 g/mol.
Where can I buy 4,5,6-trimethoxy-2-benzofuran-1(3H)-one?
You can request a quote for 4,5,6-trimethoxy-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 4,5,6-trimethoxy-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6-trimethoxy-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.