2-Furyl hydroxymethyl ketone
TL;DR: 2-Furyl hydroxymethyl ketone (CAS 17678-19-2) is a chemical compound with molecular formula C6H6O3 and molecular weight 126.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-yl)-2-hydroxyethanone
Also Known As: Furyl hydroxymethyl ketone, 1-(furan-2-yl)-2-hydroxyethanone, 2-Furyl hydroxymethyl ketone, Pulegonoxid, 1-(2-Furyl)-2-hydroxyethanone
| Molecular Formula | C6H6O3 |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.03169 |
| Heavy Atoms | 9 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 17678-19-2 |
|---|---|
| SMILES | C1=COC(=C1)C(=O)CO |
| InChIKey | RSZZMVPSHLKFQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Furyl hydroxymethyl ketone (CAS 17678-19-2), with molecular formula C6H6O3 and molecular weight 126.03 g/mol. IUPAC: 1-(furan-2-yl)-2-hydroxyethanone.
Chemical Property Profile of 2-Furyl hydroxymethyl ketone
Property Insights of 2-Furyl hydroxymethyl ketone
The XLogP value of -0.1 indicates that 2-Furyl hydroxymethyl ketone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.4 Ų, 2-Furyl hydroxymethyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Furyl hydroxymethyl ketone has 1 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 2-Furyl hydroxymethyl ketone?
The CAS number of 2-Furyl hydroxymethyl ketone is 17678-19-2.
What is the molecular formula of 2-Furyl hydroxymethyl ketone?
The molecular formula of 2-Furyl hydroxymethyl ketone is C6H6O3.
What is the molecular weight of 2-Furyl hydroxymethyl ketone?
The molecular weight of 2-Furyl hydroxymethyl ketone is 126.03 g/mol.
Where can I buy 2-Furyl hydroxymethyl ketone?
You can request a quote for 2-Furyl hydroxymethyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Furyl hydroxymethyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 2-Furyl hydroxymethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.