3-(4-(5-(2,5-Dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile
TL;DR: 3-(4-(5-(2,5-Dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile (CAS 332862-27-8) is a chemical compound with molecular formula C18H17Cl2N3OS and molecular weight 393.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[5-(2,5-dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile
Also Known As: BAS 01850236, 3-(4-(5-(2,5-dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile, 3-[4-[5-(2,5-dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile, 4-[[5-(2,5-Dichlorophenyl)-2-furanyl]thioxomethyl]-1-piperazinepropanenitrile, 3-(4-{[5-(2,5-dichlorophenyl)furan-2-yl]carbonothioyl}piperazin-1-yl)propanenitrile
| Molecular Formula | C18H17Cl2N3OS |
|---|---|
| Molecular Weight | 393.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.04694 |
| Heavy Atoms | 25 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 332862-27-8 |
|---|---|
| SMILES | C1CN(CCN1CCC#N)C(=S)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl |
| InChIKey | BCEZYKQVRQNKSZ-UHFFFAOYSA-N |
Product Overview
3-(4-(5-(2,5-Dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile (CAS 332862-27-8), with molecular formula C18H17Cl2N3OS and molecular weight 393.05 g/mol. IUPAC: 3-[4-[5-(2,5-dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile.
Chemical Property Profile of 3-(4-(5-(2,5-Dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile
Property Insights of 3-(4-(5-(2,5-Dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile
The XLogP value of 3.8 indicates that 3-(4-(5-(2,5-Dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(5-(2,5-Dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile. Following Lipinski's Rule of Five, 3-(4-(5-(2,5-Dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile has 0 hydrogen bond donor(s) and 4 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-(4-(5-(2,5-Dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile?
The CAS number of 3-(4-(5-(2,5-Dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile is 332862-27-8.
What is the molecular formula of 3-(4-(5-(2,5-Dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile?
The molecular formula of 3-(4-(5-(2,5-Dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile is C18H17Cl2N3OS.
What is the molecular weight of 3-(4-(5-(2,5-Dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile?
The molecular weight of 3-(4-(5-(2,5-Dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile is 393.05 g/mol.
Where can I buy 3-(4-(5-(2,5-Dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile?
You can request a quote for 3-(4-(5-(2,5-Dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(5-(2,5-Dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(5-(2,5-Dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.