羥甲基糠醛
TL;DR: 羥甲基糠醛 (CAS 1017356-25-0) 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.
羥甲基糠醛
5-(hydroxymethyl)furan-2-carbaldehyde
Also Known As: 5-HYDROXYMETHYLFURFURAL, 5-Hydroxymethyl-2-furaldehyde, 5-(Hydroxymethyl)furfural, Hydroxymethylfurfural, 5-(hydroxymethyl)furan-2-carbaldehyde
| Molecular Formula | C6H6O3 |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | -0.6 |
| 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 | 102.0 |
Chemical Identifiers
| CAS Number | 1017356-25-0 |
|---|---|
| SMILES | C1=C(OC(=C1)C=O)CO |
| InChIKey | NOEGNKMFWQHSLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
羥甲基糠醛 (CAS 1017356-25-0), with molecular formula C6H6O3 and molecular weight 126.03 g/mol. IUPAC: 5-(hydroxymethyl)furan-2-carbaldehyde.
Chemical Property Profile of 羥甲基糠醛
Property Insights of 羥甲基糠醛
The XLogP value of -0.6 indicates that 羥甲基糠醛 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, 羥甲基糠醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 羥甲基糠醛 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 羥甲基糠醛?
The CAS number of 羥甲基糠醛 is 1017356-25-0.
What is the molecular formula of 羥甲基糠醛?
The molecular formula of 羥甲基糠醛 is C6H6O3.
What is the molecular weight of 羥甲基糠醛?
The molecular weight of 羥甲基糠醛 is 126.03 g/mol.
Where can I buy 羥甲基糠醛?
You can request a quote for 羥甲基糠醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羥甲基糠醛?
Yes, KEHONG BIO provides custom synthesis services for 羥甲基糠醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.