N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
TL;DR: N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide (CAS 708232-52-4) is a chemical compound with molecular formula C16H18N4O3S and molecular weight 346.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
Also Known As: N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide, [(2-furylmethyl)amino][4-(4-nitrophenyl)piperazinyl]methane-1-thione
| Molecular Formula | C16H18N4O3S |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 2.3845 |
| Topological Polar Surface Area | 74.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.10995 |
| Heavy Atoms | 24 |
| Complexity | 694.62244 |
Chemical Identifiers
| CAS Number | 708232-52-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NCC3=CC=CO3 |
Product Overview
N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide (CAS 708232-52-4), with molecular formula C16H18N4O3S and molecular weight 346.11 g/mol. IUPAC: N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
Property Insights of N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
The XLogP value of 2.3845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide. The TPSA of 74.79 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide has 1 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 N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The CAS number of N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide is 708232-52-4.
What is the molecular formula of N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular formula of N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide is C16H18N4O3S.
What is the molecular weight of N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular weight of N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide is 346.11 g/mol.
Where can I buy N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
You can request a quote for N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(furan-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.