3-(2-Furyl)acrolein
TL;DR: 3-(2-Furyl)acrolein (CAS 623-30-3) is a chemical compound with molecular formula C7H6O2 and molecular weight 122.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)prop-2-enal
Also Known As: 3-(2-Furyl)acrolein, 2-Furanacrolein, 3-(2-Furyl)acrylaldehyde, Furyl acrolein, furylacrolein
| Molecular Formula | C7H6O2 |
|---|---|
| Molecular Weight | 122.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.03678 |
| Heavy Atoms | 9 |
| Complexity | 118.0 |
| Melting Point | 53.9 °C |
| Boiling Point | 135.0 °C at 14 mmHg |
| Solubility | Insoluble (<1 mg/ml at 68.0 °F) (NTP, 1992) |
Chemical Identifiers
| CAS Number | 623-30-3 |
|---|---|
| SMILES | C1=COC(=C1)C=CC=O |
| InChIKey | VZIRCHXYMBFNFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Furyl)acrolein (CAS 623-30-3), with molecular formula C7H6O2 and molecular weight 122.04 g/mol. IUPAC: 3-(furan-2-yl)prop-2-enal.
Chemical Property Profile of 3-(2-Furyl)acrolein
Property Insights of 3-(2-Furyl)acrolein
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Furyl)acrolein. With a topological polar surface area (TPSA) of 30.2 Ų, 3-(2-Furyl)acrolein exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Furyl)acrolein 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 3-(2-Furyl)acrolein?
The CAS number of 3-(2-Furyl)acrolein is 623-30-3.
What is the molecular formula of 3-(2-Furyl)acrolein?
The molecular formula of 3-(2-Furyl)acrolein is C7H6O2.
What is the molecular weight of 3-(2-Furyl)acrolein?
The molecular weight of 3-(2-Furyl)acrolein is 122.04 g/mol.
Where can I buy 3-(2-Furyl)acrolein?
You can request a quote for 3-(2-Furyl)acrolein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Furyl)acrolein?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Furyl)acrolein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.