苯并呋喃
TL;DR: 苯并呋喃 (CAS 271-89-6) is a chemical compound with molecular formula C8H6O and molecular weight 118.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯并呋喃
1-benzofuran
Also Known As: 2,3-Benzofuran, Coumarone, 1-Benzofuran, Benzo[b]furan, Cumarone
| Molecular Formula | C8H6O |
|---|---|
| Molecular Weight | 118.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.04186 |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
| Melting Point | less than -18.0 °C |
| Boiling Point | 173.9 °C at 760 mmHg |
| Density | 1.078 at 15.0 °C |
| Solubility | 0.1 to 1 mg/mL at 64 °F (NTP, 1992) |
| Flash Point | 56.1 °C |
| Vapor Pressure | 14.3 mmHg at 25.0 °C |
| Refractive Index | 1.56897 @ 16.93 °C; 1.565 @ 22.7 °C |
Chemical Identifiers
| CAS Number | 271-89-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CO2 |
| InChIKey | IANQTJSKSUMEQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯并呋喃 (CAS 271-89-6), with molecular formula C8H6O and molecular weight 118.04 g/mol. IUPAC: 1-benzofuran.
Chemical Property Profile of 苯并呋喃
Property Insights of 苯并呋喃
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯并呋喃. With a topological polar surface area (TPSA) of 13.1 Ų, 苯并呋喃 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯并呋喃 has 0 hydrogen bond donor(s) and 1 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 苯并呋喃?
The CAS number of 苯并呋喃 is 271-89-6.
What is the molecular formula of 苯并呋喃?
The molecular formula of 苯并呋喃 is C8H6O.
What is the molecular weight of 苯并呋喃?
The molecular weight of 苯并呋喃 is 118.04 g/mol.
Where can I buy 苯并呋喃?
You can request a quote for 苯并呋喃 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯并呋喃?
Yes, KEHONG BIO provides custom synthesis services for 苯并呋喃 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.