N-ethyl-4-(4-nitrophenyl)piperazine-1-carbothioamide
TL;DR: N-ethyl-4-(4-nitrophenyl)piperazine-1-carbothioamide (CAS 431068-40-5) is a chemical compound with molecular formula C13H18N4O2S and molecular weight 294.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-4-(4-nitrophenyl)piperazine-1-carbothioamide
Also Known As: N-ethyl-4-(4-nitrophenyl)piperazine-1-carbothioamide, N-ethyl-4-(4-nitrophenyl)-1-piperazinecarbothioamide
| Molecular Formula | C13H18N4O2S |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | 1.6112 |
| Topological Polar Surface Area | 61.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.11505 |
| Heavy Atoms | 20 |
| Complexity | 483.64944 |
Chemical Identifiers
| CAS Number | 431068-40-5 |
|---|---|
| SMILES | CCNC(=S)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-ethyl-4-(4-nitrophenyl)piperazine-1-carbothioamide (CAS 431068-40-5), with molecular formula C13H18N4O2S and molecular weight 294.12 g/mol. IUPAC: N-ethyl-4-(4-nitrophenyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-ethyl-4-(4-nitrophenyl)piperazine-1-carbothioamide
Property Insights of N-ethyl-4-(4-nitrophenyl)piperazine-1-carbothioamide
The XLogP value of 1.6112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-4-(4-nitrophenyl)piperazine-1-carbothioamide. The TPSA of 61.65 Ų falls within the moderate polarity range, balancing permeability and solubility for N-ethyl-4-(4-nitrophenyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, N-ethyl-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-ethyl-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The CAS number of N-ethyl-4-(4-nitrophenyl)piperazine-1-carbothioamide is 431068-40-5.
What is the molecular formula of N-ethyl-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular formula of N-ethyl-4-(4-nitrophenyl)piperazine-1-carbothioamide is C13H18N4O2S.
What is the molecular weight of N-ethyl-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular weight of N-ethyl-4-(4-nitrophenyl)piperazine-1-carbothioamide is 294.12 g/mol.
Where can I buy N-ethyl-4-(4-nitrophenyl)piperazine-1-carbothioamide?
You can request a quote for N-ethyl-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-ethyl-4-(4-nitrophenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-4-(4-nitrophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.