![3-[4-[5-(3,4-Dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile structure](/static/products/370/370574-09-7.png)
3-[4-[5-(3,4-Dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile
TL;DR: 3-[4-[5-(3,4-Dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile (CAS 370574-09-7) 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-(3,4-dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile
Also Known As: BAS 03772182, 3-[4-[5-(3,4-dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile, 3-(4-(5-(3,4-dichlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile, 3-(4-{[5-(3,4-dichlorophenyl)(2-furyl)]thioxomethyl}piperazinyl)propanenitrile, 3-(4-{[5-(3,4-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 | 370574-09-7 |
|---|---|
| SMILES | C1CN(CCN1CCC#N)C(=S)C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | NHNZOBIYJCPFDL-UHFFFAOYSA-N |
Product Overview
3-[4-[5-(3,4-Dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile (CAS 370574-09-7), with molecular formula C18H17Cl2N3OS and molecular weight 393.05 g/mol. IUPAC: 3-[4-[5-(3,4-dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile.
Chemical Property Profile of 3-[4-[5-(3,4-Dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile
Property Insights of 3-[4-[5-(3,4-Dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile
The XLogP value of 3.8 indicates that 3-[4-[5-(3,4-Dichlorophenyl)furan-2-carbothioyl]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-(3,4-Dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile. Following Lipinski's Rule of Five, 3-[4-[5-(3,4-Dichlorophenyl)furan-2-carbothioyl]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-(3,4-Dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile?
The CAS number of 3-[4-[5-(3,4-Dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile is 370574-09-7.
What is the molecular formula of 3-[4-[5-(3,4-Dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile?
The molecular formula of 3-[4-[5-(3,4-Dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile is C18H17Cl2N3OS.
What is the molecular weight of 3-[4-[5-(3,4-Dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile?
The molecular weight of 3-[4-[5-(3,4-Dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile is 393.05 g/mol.
Where can I buy 3-[4-[5-(3,4-Dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile?
You can request a quote for 3-[4-[5-(3,4-Dichlorophenyl)furan-2-carbothioyl]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-(3,4-Dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-[5-(3,4-Dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.