(4-(4-Fluorophenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione
TL;DR: (4-(4-Fluorophenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione (CAS 327076-94-8) is a chemical compound with molecular formula C21H18FN3O3S and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(3-nitrophenyl)furan-2-yl]methanethione
Also Known As: BIM-0044226.P001, (4-(4-fluorophenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione, 1-(4-FLUOROPHENYL)-4-[5-(3-NITROPHENYL)FURAN-2-CARBOTHIOYL]PIPERAZINE, F3271-0090, [4-(4-fluorophenyl)piperazin-1-yl]-[5-(3-nitrophenyl)furan-2-yl]methanethione
| Molecular Formula | C21H18FN3O3S |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 4.4916 |
| Topological Polar Surface Area | 62.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.1053 |
| Heavy Atoms | 29 |
| Complexity | 1043.3347 |
Chemical Identifiers
| CAS Number | 327076-94-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=S)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
(4-(4-Fluorophenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione (CAS 327076-94-8), with molecular formula C21H18FN3O3S and molecular weight 411.11 g/mol. IUPAC: [4-(4-fluorophenyl)piperazin-1-yl]-[5-(3-nitrophenyl)furan-2-yl]methanethione.
Chemical Property Profile of (4-(4-Fluorophenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione
Property Insights of (4-(4-Fluorophenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione
The XLogP value of 4.4916 indicates that (4-(4-Fluorophenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-(4-Fluorophenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione. Following Lipinski's Rule of Five, (4-(4-Fluorophenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione has 0 hydrogen bond donor(s) and 5 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-Fluorophenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione?
The CAS number of (4-(4-Fluorophenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione is 327076-94-8.
What is the molecular formula of (4-(4-Fluorophenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione?
The molecular formula of (4-(4-Fluorophenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione is C21H18FN3O3S.
What is the molecular weight of (4-(4-Fluorophenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione?
The molecular weight of (4-(4-Fluorophenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione is 411.11 g/mol.
Where can I buy (4-(4-Fluorophenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione?
You can request a quote for (4-(4-Fluorophenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-(4-Fluorophenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (4-(4-Fluorophenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.