糠醛
TL;DR: 糠醛 (CAS 98-01-1) is a chemical compound with molecular formula C5H4O2 and molecular weight 96.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
糠醛
furan-2-carbaldehyde
Also Known As: FURFURAL, 2-Furaldehyde, furan-2-carbaldehyde, Furaldehyde, Furfuraldehyde
| Molecular Formula | C5H4O2 |
|---|---|
| Molecular Weight | 96.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 96.021126 |
| Heavy Atoms | 7 |
| Complexity | 70.0 |
| Melting Point | -36.5 °C |
| Boiling Point | 161.7 °C at 760 mmHg |
| Density | 1.159 at 20.0 °C |
| Solubility | 50 to 100 mg/mL at 64 °F (NTP, 1992) |
| Flash Point | 60.0 °C |
| Vapor Pressure | 1 mmHg at 20.0 °C ; 3 mmHg at 30.0 °C; 10 mmHg at 50.0 °C |
| Refractive Index | = 1.5261 at 20 °C |
| GHS Signal | Danger |
| H-Statements | H226, H301, H312, H315, H319, H330, H335, H351, H412 |
Chemical Identifiers
| CAS Number | 98-01-1 |
|---|---|
| SMILES | C1=COC(=C1)C=O |
| InChIKey | HYBBIBNJHNGZAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
糠醛 (CAS 98-01-1), with molecular formula C5H4O2 and molecular weight 96.02 g/mol. IUPAC: furan-2-carbaldehyde.
Chemical Property Profile of 糠醛
Property Insights of 糠醛
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 糠醛. With a topological polar surface area (TPSA) of 30.2 Ų, 糠醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 糠醛 has 0 hydrogen bond donor(s) and 2 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 糠醛?
The CAS number of 糠醛 is 98-01-1.
What is the molecular formula of 糠醛?
The molecular formula of 糠醛 is C5H4O2.
What is the molecular weight of 糠醛?
The molecular weight of 糠醛 is 96.02 g/mol.
Where can I buy 糠醛?
You can request a quote for 糠醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 糠醛?
Yes, KEHONG BIO provides custom synthesis services for 糠醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.