Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride
TL;DR: Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride (CAS 130564-60-2) is a chemical compound with molecular formula C18H20ClN3O2S and molecular weight 377.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-(2-nitrophenyl)methanethione;hydrochloride
Also Known As: Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride, 1-((2-Nitrophenyl)thioxomethyl)-4-(phenylmethyl)piperazine monohydrochloride, (4-benzylpiperazin-1-yl)-(2-nitrophenyl)methanethione hydrochloride, (4-Benzylpiperazin-1-yl)(2-nitrophenyl)methanethione--hydrogen chloride (1/1), RefChem:371765
| Molecular Formula | C18H20ClN3O2S |
|---|---|
| Molecular Weight | 377.10 g/mol |
| LogP | 3.5099 |
| Topological Polar Surface Area | 49.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.09647 |
| Heavy Atoms | 25 |
| Complexity | 734.11084 |
Chemical Identifiers
| CAS Number | 130564-60-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC=CC=C3[N+](=O)[O-].Cl |
Product Overview
Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride (CAS 130564-60-2), with molecular formula C18H20ClN3O2S and molecular weight 377.10 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-(2-nitrophenyl)methanethione;hydrochloride.
Chemical Property Profile of Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride
Property Insights of Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride
The XLogP value of 3.5099 indicates that Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.62 Ų, Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride has 0 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 Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride?
The CAS number of Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride is 130564-60-2.
What is the molecular formula of Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride?
The molecular formula of Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride is C18H20ClN3O2S.
What is the molecular weight of Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride?
The molecular weight of Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride is 377.10 g/mol.
Where can I buy Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride?
You can request a quote for Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.