5-Methoxybenzofuran-3(2H)-one
TL;DR: 5-Methoxybenzofuran-3(2H)-one (CAS 1820664-67-2) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-1-benzofuran-3-one
Also Known As: 5-METHOXYBENZOFURAN-3(2H)-ONE, 5-Methoxy-benzofuran-3-one, 5-Methoxy-3-Benzofuranone, 5-methoxy-1-benzofuran-3-one, 5-Methoxy-1-benzofuran-3(2H)-one
| Molecular Formula | C9H8O3 |
|---|---|
| Molecular Weight | 164.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.04735 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 1820664-67-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OCC2=O |
| InChIKey | VKHVAQOGXRYNNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methoxybenzofuran-3(2H)-one (CAS 1820664-67-2), with molecular formula C9H8O3 and molecular weight 164.05 g/mol. IUPAC: 5-methoxy-1-benzofuran-3-one.
Chemical Property Profile of 5-Methoxybenzofuran-3(2H)-one
Property Insights of 5-Methoxybenzofuran-3(2H)-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxybenzofuran-3(2H)-one. With a topological polar surface area (TPSA) of 35.5 Ų, 5-Methoxybenzofuran-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methoxybenzofuran-3(2H)-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 5-Methoxybenzofuran-3(2H)-one?
The CAS number of 5-Methoxybenzofuran-3(2H)-one is 1820664-67-2.
What is the molecular formula of 5-Methoxybenzofuran-3(2H)-one?
The molecular formula of 5-Methoxybenzofuran-3(2H)-one is C9H8O3.
What is the molecular weight of 5-Methoxybenzofuran-3(2H)-one?
The molecular weight of 5-Methoxybenzofuran-3(2H)-one is 164.05 g/mol.
Where can I buy 5-Methoxybenzofuran-3(2H)-one?
You can request a quote for 5-Methoxybenzofuran-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxybenzofuran-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxybenzofuran-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.