![2-[5-(4-Methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol structure](/static/products/329/329922-70-5.png)
2-[5-(4-Methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol
TL;DR: 2-[5-(4-Methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol (CAS 329922-70-5) is a chemical compound with molecular formula C13H19N3O3S and molecular weight 297.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]sulfanylethanol
Also Known As: BAS 00434876, 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]sulfanylethanol, 2-[5-(4-methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol, A0437/0020264, 2-((5-(4-methylpiperazin-1-yl)-2-nitrophenyl)thio)ethanol
| Molecular Formula | C13H19N3O3S |
|---|---|
| Molecular Weight | 297.11 g/mol |
| LogP | 1.431 |
| Topological Polar Surface Area | 69.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.11472 |
| Heavy Atoms | 20 |
| Complexity | 475.92923 |
Chemical Identifiers
| CAS Number | 329922-70-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SCCO |
Product Overview
2-[5-(4-Methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol (CAS 329922-70-5), with molecular formula C13H19N3O3S and molecular weight 297.11 g/mol. IUPAC: 2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]sulfanylethanol.
Chemical Property Profile of 2-[5-(4-Methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol
Property Insights of 2-[5-(4-Methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol
The XLogP value of 1.431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[5-(4-Methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol. The TPSA of 69.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(4-Methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol. Following Lipinski's Rule of Five, 2-[5-(4-Methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol has 1 hydrogen bond donor(s) and 6 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 2-[5-(4-Methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol?
The CAS number of 2-[5-(4-Methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol is 329922-70-5.
What is the molecular formula of 2-[5-(4-Methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol?
The molecular formula of 2-[5-(4-Methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol is C13H19N3O3S.
What is the molecular weight of 2-[5-(4-Methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol?
The molecular weight of 2-[5-(4-Methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol is 297.11 g/mol.
Where can I buy 2-[5-(4-Methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol?
You can request a quote for 2-[5-(4-Methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(4-Methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(4-Methylpiperazinyl)-2-nitrophenylthio]ethan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.