3-(2-苯并呋喃基)-3-氧代丙腈
TL;DR: 3-(2-苯并呋喃基)-3-氧代丙腈 (CAS 5149-69-9) is a chemical compound with molecular formula C11H7NO2 and molecular weight 185.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-苯并呋喃基)-3-氧代丙腈
3-(1-benzofuran-2-yl)-3-oxopropanenitrile
Also Known As: 2-Cyanoacetylcoumarone, 3-(1-benzofuran-2-yl)-3-oxopropanenitrile, cyanoacetylcoumarone, 3-(Benzofuran-2-yl)-3-oxopropanenitrile, USAF KF-4
| Molecular Formula | C11H7NO2 |
|---|---|
| Molecular Weight | 185.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.04768 |
| Heavy Atoms | 14 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 5149-69-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(=O)CC#N |
| InChIKey | GCABLKFGYPIVFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-苯并呋喃基)-3-氧代丙腈 (CAS 5149-69-9), with molecular formula C11H7NO2 and molecular weight 185.05 g/mol. IUPAC: 3-(1-benzofuran-2-yl)-3-oxopropanenitrile.
Chemical Property Profile of 3-(2-苯并呋喃基)-3-氧代丙腈
Property Insights of 3-(2-苯并呋喃基)-3-氧代丙腈
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-苯并呋喃基)-3-氧代丙腈. With a topological polar surface area (TPSA) of 54.0 Ų, 3-(2-苯并呋喃基)-3-氧代丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-苯并呋喃基)-3-氧代丙腈 has 0 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 3-(2-苯并呋喃基)-3-氧代丙腈?
The CAS number of 3-(2-苯并呋喃基)-3-氧代丙腈 is 5149-69-9.
What is the molecular formula of 3-(2-苯并呋喃基)-3-氧代丙腈?
The molecular formula of 3-(2-苯并呋喃基)-3-氧代丙腈 is C11H7NO2.
What is the molecular weight of 3-(2-苯并呋喃基)-3-氧代丙腈?
The molecular weight of 3-(2-苯并呋喃基)-3-氧代丙腈 is 185.05 g/mol.
Where can I buy 3-(2-苯并呋喃基)-3-氧代丙腈?
You can request a quote for 3-(2-苯并呋喃基)-3-氧代丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-苯并呋喃基)-3-氧代丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-苯并呋喃基)-3-氧代丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.