N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
TL;DR: N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide (CAS 690686-01-2) is a chemical compound with molecular formula C17H17FN4O2S and molecular weight 360.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
Also Known As: N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide, N-(3-fluorophenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide
| Molecular Formula | C17H17FN4O2S |
|---|---|
| Molecular Weight | 360.11 g/mol |
| LogP | 3.2529 |
| Topological Polar Surface Area | 61.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.10562 |
| Heavy Atoms | 25 |
| Complexity | 776.4722 |
Chemical Identifiers
| CAS Number | 690686-01-2 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC(=CC=C3)F |
Product Overview
N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide (CAS 690686-01-2), with molecular formula C17H17FN4O2S and molecular weight 360.11 g/mol. IUPAC: N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
Property Insights of N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
The XLogP value of 3.2529 indicates that N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.65 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide has 1 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 N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The CAS number of N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide is 690686-01-2.
What is the molecular formula of N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular formula of N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide is C17H17FN4O2S.
What is the molecular weight of N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular weight of N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide is 360.11 g/mol.
Where can I buy N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
You can request a quote for N-(3-fluorophenyl)-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-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.