3-(2-Furyl)-2-(phenylcarbonyl)prop-2-enenitrile
TL;DR: 3-(2-Furyl)-2-(phenylcarbonyl)prop-2-enenitrile (CAS 87736-72-9) is a chemical compound with molecular formula C14H9NO2 and molecular weight 223.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-3-(furan-2-yl)prop-2-enenitrile
Also Known As: 2-benzoyl-3-(2-furyl)prop-2-enenitrile, NCI60_014585, 2-benzoyl-3-(furan-2-yl)prop-2-enenitrile, 3-(2-FURYL)-2-(PHENYLCARBONYL)PROP-2-ENENITRILE
| Molecular Formula | C14H9NO2 |
|---|---|
| Molecular Weight | 223.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.06332 |
| Heavy Atoms | 17 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 87736-72-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=CC2=CC=CO2)C#N |
| InChIKey | RYSPQOWNCYWAQP-UHFFFAOYSA-N |
Product Overview
3-(2-Furyl)-2-(phenylcarbonyl)prop-2-enenitrile (CAS 87736-72-9), with molecular formula C14H9NO2 and molecular weight 223.06 g/mol. IUPAC: 2-benzoyl-3-(furan-2-yl)prop-2-enenitrile.
Chemical Property Profile of 3-(2-Furyl)-2-(phenylcarbonyl)prop-2-enenitrile
Property Insights of 3-(2-Furyl)-2-(phenylcarbonyl)prop-2-enenitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Furyl)-2-(phenylcarbonyl)prop-2-enenitrile. With a topological polar surface area (TPSA) of 54.0 Ų, 3-(2-Furyl)-2-(phenylcarbonyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Furyl)-2-(phenylcarbonyl)prop-2-enenitrile 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-Furyl)-2-(phenylcarbonyl)prop-2-enenitrile?
The CAS number of 3-(2-Furyl)-2-(phenylcarbonyl)prop-2-enenitrile is 87736-72-9.
What is the molecular formula of 3-(2-Furyl)-2-(phenylcarbonyl)prop-2-enenitrile?
The molecular formula of 3-(2-Furyl)-2-(phenylcarbonyl)prop-2-enenitrile is C14H9NO2.
What is the molecular weight of 3-(2-Furyl)-2-(phenylcarbonyl)prop-2-enenitrile?
The molecular weight of 3-(2-Furyl)-2-(phenylcarbonyl)prop-2-enenitrile is 223.06 g/mol.
Where can I buy 3-(2-Furyl)-2-(phenylcarbonyl)prop-2-enenitrile?
You can request a quote for 3-(2-Furyl)-2-(phenylcarbonyl)prop-2-enenitrile 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)-2-(phenylcarbonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Furyl)-2-(phenylcarbonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.