![[4-(3-Methylphenyl)piperazin-1-yl]-[5-(2-nitrophenyl)furan-2-yl]methanethione structure](/static/products/3142/314260-03-2.webp)
[4-(3-Methylphenyl)piperazin-1-yl]-[5-(2-nitrophenyl)furan-2-yl]methanethione
TL;DR: [4-(3-Methylphenyl)piperazin-1-yl]-[5-(2-nitrophenyl)furan-2-yl]methanethione (CAS 314260-03-2) is a chemical compound with molecular formula C22H21N3O3S and molecular weight 407.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-methylphenyl)piperazin-1-yl]-[5-(2-nitrophenyl)furan-2-yl]methanethione
Also Known As: BIM-0005739.P001, [4-(3-methylphenyl)piperazin-1-yl]-[5-(2-nitrophenyl)furan-2-yl]methanethione, (5-(2-nitrophenyl)furan-2-yl)(4-(m-tolyl)piperazin-1-yl)methanethione, 1-(3-methylphenyl)-4-{[5-(2-nitrophenyl)-2-furyl]carbonothioyl}piperazine, [4-(3-methylphenyl)piperazin-1-yl][5-(2-nitrophenyl)furan-2-yl]methanethione
| Molecular Formula | C22H21N3O3S |
|---|---|
| Molecular Weight | 407.13 g/mol |
| LogP | 4.66092 |
| Topological Polar Surface Area | 62.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.13037 |
| Heavy Atoms | 29 |
| Complexity | 1054.7158 |
Chemical Identifiers
| CAS Number | 314260-03-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2CCN(CC2)C(=S)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-] |
Product Overview
[4-(3-Methylphenyl)piperazin-1-yl]-[5-(2-nitrophenyl)furan-2-yl]methanethione (CAS 314260-03-2), with molecular formula C22H21N3O3S and molecular weight 407.13 g/mol. IUPAC: [4-(3-methylphenyl)piperazin-1-yl]-[5-(2-nitrophenyl)furan-2-yl]methanethione.
Chemical Property Profile of [4-(3-Methylphenyl)piperazin-1-yl]-[5-(2-nitrophenyl)furan-2-yl]methanethione
Property Insights of [4-(3-Methylphenyl)piperazin-1-yl]-[5-(2-nitrophenyl)furan-2-yl]methanethione
The XLogP value of 4.66092 indicates that [4-(3-Methylphenyl)piperazin-1-yl]-[5-(2-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-(3-Methylphenyl)piperazin-1-yl]-[5-(2-nitrophenyl)furan-2-yl]methanethione. Following Lipinski's Rule of Five, [4-(3-Methylphenyl)piperazin-1-yl]-[5-(2-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-(3-Methylphenyl)piperazin-1-yl]-[5-(2-nitrophenyl)furan-2-yl]methanethione?
The CAS number of [4-(3-Methylphenyl)piperazin-1-yl]-[5-(2-nitrophenyl)furan-2-yl]methanethione is 314260-03-2.
What is the molecular formula of [4-(3-Methylphenyl)piperazin-1-yl]-[5-(2-nitrophenyl)furan-2-yl]methanethione?
The molecular formula of [4-(3-Methylphenyl)piperazin-1-yl]-[5-(2-nitrophenyl)furan-2-yl]methanethione is C22H21N3O3S.
What is the molecular weight of [4-(3-Methylphenyl)piperazin-1-yl]-[5-(2-nitrophenyl)furan-2-yl]methanethione?
The molecular weight of [4-(3-Methylphenyl)piperazin-1-yl]-[5-(2-nitrophenyl)furan-2-yl]methanethione is 407.13 g/mol.
Where can I buy [4-(3-Methylphenyl)piperazin-1-yl]-[5-(2-nitrophenyl)furan-2-yl]methanethione?
You can request a quote for [4-(3-Methylphenyl)piperazin-1-yl]-[5-(2-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-(3-Methylphenyl)piperazin-1-yl]-[5-(2-nitrophenyl)furan-2-yl]methanethione?
Yes, KEHONG BIO provides custom synthesis services for [4-(3-Methylphenyl)piperazin-1-yl]-[5-(2-nitrophenyl)furan-2-yl]methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.