![3-[4-[5-(3-Nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile structure](/static/products/3328/332862-26-7.webp)
3-[4-[5-(3-Nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile
TL;DR: 3-[4-[5-(3-Nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile (CAS 332862-26-7) is a chemical compound with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[5-(3-nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile
Also Known As: 3-[4-[5-(3-nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile, 3-(4-{[5-(3-nitrophenyl)furan-2-yl]carbonothioyl}piperazin-1-yl)propanenitrile, 3-(4-(5-(3-nitrophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile, 3-{4-[5-(3-nitrophenyl)-2-furylcarbothioyl]-piperazin-1-yl}propionitrile, 3-{4-[(5-{3-nitrophenyl}-2-furyl)carbothioyl]piperazin-1-yl}propanenitrile
| Molecular Formula | C18H18N4O3S |
|---|---|
| Molecular Weight | 370.11 g/mol |
| LogP | 3.06158 |
| Topological Polar Surface Area | 86.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.10995 |
| Heavy Atoms | 26 |
| Complexity | 850.1163 |
Chemical Identifiers
| CAS Number | 332862-26-7 |
|---|---|
| SMILES | C1CN(CCN1CCC#N)C(=S)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
3-[4-[5-(3-Nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile (CAS 332862-26-7), with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol. IUPAC: 3-[4-[5-(3-nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile.
Chemical Property Profile of 3-[4-[5-(3-Nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile
Property Insights of 3-[4-[5-(3-Nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile
The XLogP value of 3.06158 indicates that 3-[4-[5-(3-Nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-[5-(3-Nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile. Following Lipinski's Rule of Five, 3-[4-[5-(3-Nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile has 0 hydrogen bond donor(s) and 6 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-Nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile?
The CAS number of 3-[4-[5-(3-Nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile is 332862-26-7.
What is the molecular formula of 3-[4-[5-(3-Nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile?
The molecular formula of 3-[4-[5-(3-Nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile is C18H18N4O3S.
What is the molecular weight of 3-[4-[5-(3-Nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile?
The molecular weight of 3-[4-[5-(3-Nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile is 370.11 g/mol.
Where can I buy 3-[4-[5-(3-Nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile?
You can request a quote for 3-[4-[5-(3-Nitrophenyl)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-Nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-[5-(3-Nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.