3-(4-(5-(4-Bromophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile
TL;DR: 3-(4-(5-(4-Bromophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile (CAS 332862-24-5) is a chemical compound with molecular formula C18H18BrN3OS and molecular weight 403.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[5-(4-bromophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile
Also Known As: BAS 01850230, 3-(4-(5-(4-bromophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile, F3271-0101, 3-{4-[5-(4-BROMOPHENYL)FURAN-2-CARBOTHIOYL]PIPERAZIN-1-YL}PROPANENITRILE, 3-[4-[5-(4-bromophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile
| Molecular Formula | C18H18BrN3OS |
|---|---|
| Molecular Weight | 403.04 g/mol |
| LogP | 3.91588 |
| Topological Polar Surface Area | 43.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.0354 |
| Heavy Atoms | 24 |
| Complexity | 742.3695 |
Chemical Identifiers
| CAS Number | 332862-24-5 |
|---|---|
| SMILES | C1CN(CCN1CCC#N)C(=S)C2=CC=C(O2)C3=CC=C(C=C3)Br |
Product Overview
3-(4-(5-(4-Bromophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile (CAS 332862-24-5), with molecular formula C18H18BrN3OS and molecular weight 403.04 g/mol. IUPAC: 3-[4-[5-(4-bromophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile.
Chemical Property Profile of 3-(4-(5-(4-Bromophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile
Property Insights of 3-(4-(5-(4-Bromophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile
The XLogP value of 3.91588 indicates that 3-(4-(5-(4-Bromophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.41 Ų, 3-(4-(5-(4-Bromophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-(5-(4-Bromophenyl)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-(4-Bromophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile?
The CAS number of 3-(4-(5-(4-Bromophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile is 332862-24-5.
What is the molecular formula of 3-(4-(5-(4-Bromophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile?
The molecular formula of 3-(4-(5-(4-Bromophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile is C18H18BrN3OS.
What is the molecular weight of 3-(4-(5-(4-Bromophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile?
The molecular weight of 3-(4-(5-(4-Bromophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile is 403.04 g/mol.
Where can I buy 3-(4-(5-(4-Bromophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile?
You can request a quote for 3-(4-(5-(4-Bromophenyl)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-(4-Bromophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(5-(4-Bromophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.