methanethione structure](/static/products/756/756830-11-2.png)
[4-(2-Hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methanethione
TL;DR: [4-(2-Hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methanethione (CAS 756830-11-2) is a chemical compound with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-nitrophenyl)methanethione
Also Known As: [4-(2-hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methanethione|[4-(2-hydroxyethyl)piperazin-1-yl]-(4-nitrophenyl)methanethione
| Molecular Formula | C13H17N3O3S |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 0.8802 |
| Topological Polar Surface Area | 69.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.09906 |
| Heavy Atoms | 20 |
| Complexity | 484.13968 |
Chemical Identifiers
| CAS Number | 756830-11-2 |
|---|---|
| SMILES | C1CN(CCN1CCO)C(=S)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
[4-(2-Hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methanethione (CAS 756830-11-2), with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol. IUPAC: [4-(2-hydroxyethyl)piperazin-1-yl]-(4-nitrophenyl)methanethione.
Chemical Property Profile of [4-(2-Hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methanethione
Property Insights of [4-(2-Hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methanethione
The XLogP value of 0.8802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(2-Hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methanethione. The TPSA of 69.85 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(2-Hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methanethione. Following Lipinski's Rule of Five, [4-(2-Hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methanethione 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 [4-(2-Hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methanethione?
The CAS number of [4-(2-Hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methanethione is 756830-11-2.
What is the molecular formula of [4-(2-Hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methanethione?
The molecular formula of [4-(2-Hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methanethione is C13H17N3O3S.
What is the molecular weight of [4-(2-Hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methanethione?
The molecular weight of [4-(2-Hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methanethione is 295.10 g/mol.
Where can I buy [4-(2-Hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methanethione?
You can request a quote for [4-(2-Hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(2-Hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for [4-(2-Hydroxyethyl)piperazin-1-yl](4-nitrophenyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.