4-(4-Chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile
TL;DR: 4-(4-Chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile (CAS 39561-83-6) is a chemical compound with molecular formula C11H6ClNO2 and molecular weight 219.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5-oxo-2H-furan-4-carbonitrile
Also Known As: 4-(4-chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile, 4-(4-Chlorophenyl)-2-oxo-2,5-dihydrofuran-3-carbonitrile, 3-(4-chlorophenyl)-5-oxo-2H-furan-4-carbonitrile, chlorophenyloxodihydrofurancarbonitrile, 4-(4-chlorophenyl)-2-oxo-5H-furan-3-carbonitrile
| Molecular Formula | C11H6ClNO2 |
|---|---|
| Molecular Weight | 219.01 g/mol |
| LogP | 2.17398 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.00871 |
| Heavy Atoms | 15 |
| Complexity | 482.30453 |
Chemical Identifiers
| CAS Number | 39561-83-6 |
|---|---|
| SMILES | C1C(=C(C(=O)O1)C#N)C2=CC=C(C=C2)Cl |
Product Overview
4-(4-Chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile (CAS 39561-83-6), with molecular formula C11H6ClNO2 and molecular weight 219.01 g/mol. IUPAC: 3-(4-chlorophenyl)-5-oxo-2H-furan-4-carbonitrile.
Chemical Property Profile of 4-(4-Chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile
Property Insights of 4-(4-Chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile
The XLogP value of 2.17398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile. With a topological polar surface area (TPSA) of 50.09 Ų, 4-(4-Chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile 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 4-(4-Chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile?
The CAS number of 4-(4-Chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile is 39561-83-6.
What is the molecular formula of 4-(4-Chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile?
The molecular formula of 4-(4-Chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile is C11H6ClNO2.
What is the molecular weight of 4-(4-Chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile?
The molecular weight of 4-(4-Chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile is 219.01 g/mol.
Where can I buy 4-(4-Chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile?
You can request a quote for 4-(4-Chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.