![2-[5-(4-Chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile structure](/static/products/971/97180-87-5.png)
2-[5-(4-Chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile
TL;DR: 2-[5-(4-Chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile (CAS 97180-87-5) is a chemical compound with molecular formula C12H6ClNO2 and molecular weight 231.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile
Also Known As: (2E)-2-[5-(4-chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile
| Molecular Formula | C12H6ClNO2 |
|---|---|
| Molecular Weight | 231.01 g/mol |
| LogP | 2.68768 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.00871 |
| Heavy Atoms | 16 |
| Complexity | 535.1323 |
Chemical Identifiers
| CAS Number | 97180-87-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=O)C(=CC#N)O2)Cl |
Product Overview
2-[5-(4-Chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile (CAS 97180-87-5), with molecular formula C12H6ClNO2 and molecular weight 231.01 g/mol. IUPAC: 2-[5-(4-chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile.
Chemical Property Profile of 2-[5-(4-Chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile
Property Insights of 2-[5-(4-Chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile
The XLogP value of 2.68768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[5-(4-Chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile. With a topological polar surface area (TPSA) of 50.09 Ų, 2-[5-(4-Chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[5-(4-Chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile 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 2-[5-(4-Chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile?
The CAS number of 2-[5-(4-Chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile is 97180-87-5.
What is the molecular formula of 2-[5-(4-Chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile?
The molecular formula of 2-[5-(4-Chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile is C12H6ClNO2.
What is the molecular weight of 2-[5-(4-Chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile?
The molecular weight of 2-[5-(4-Chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile is 231.01 g/mol.
Where can I buy 2-[5-(4-Chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile?
You can request a quote for 2-[5-(4-Chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(4-Chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(4-Chlorophenyl)-3-oxofuran-2-ylidene]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.