(5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-yl)methanethione
TL;DR: (5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-yl)methanethione (CAS 714285-91-3) is a chemical compound with molecular formula C22H20ClN3O3S and molecular weight 441.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(2-chloro-4-nitrophenyl)furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanethione
Also Known As: (5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-yl)methanethione, [5-(2-chloro-4-nitro-phenyl)-2-furyl]-[4-(2-methylphenyl)piperazin-1-yl]methanethione, [5-(2-chloro-4-nitrophenyl)furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanethione, [5-(2-chloro-4-nitrophenyl)furan-2-yl][4-(2-methylphenyl)piperazin-1-yl]methanethione
| Molecular Formula | C22H20ClN3O3S |
|---|---|
| Molecular Weight | 441.09 g/mol |
| LogP | 5.31432 |
| Topological Polar Surface Area | 62.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.0914 |
| Heavy Atoms | 30 |
| Complexity | 1106.5122 |
Chemical Identifiers
| CAS Number | 714285-91-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)C(=S)C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl |
Product Overview
(5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-yl)methanethione (CAS 714285-91-3), with molecular formula C22H20ClN3O3S and molecular weight 441.09 g/mol. IUPAC: [5-(2-chloro-4-nitrophenyl)furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanethione.
Chemical Property Profile of (5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-yl)methanethione
Property Insights of (5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-yl)methanethione
The XLogP value of 5.31432 indicates that (5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-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 (5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-yl)methanethione. Following Lipinski's Rule of Five, (5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-yl)methanethione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-yl)methanethione?
The CAS number of (5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-yl)methanethione is 714285-91-3.
What is the molecular formula of (5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-yl)methanethione?
The molecular formula of (5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-yl)methanethione is C22H20ClN3O3S.
What is the molecular weight of (5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-yl)methanethione?
The molecular weight of (5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-yl)methanethione is 441.09 g/mol.
Where can I buy (5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-yl)methanethione?
You can request a quote for (5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-yl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-yl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (5-(2-chloro-4-nitrophenyl)furan-2-yl)(4-(o-tolyl)piperazin-1-yl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.