![1-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine structure](/static/products/3270/327050-75-9.webp)
1-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine
TL;DR: 1-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine (CAS 327050-75-9) is a chemical compound with molecular formula C14H17N5O2S and molecular weight 319.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine
Also Known As: 2-(4-methyl(1,2,4-triazol-3-ylthio))-1-nitro-4-piperidylbenzene, 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine, 1-(3-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-4-nitrophenyl)piperidine, 1-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}piperidine
| Molecular Formula | C14H17N5O2S |
|---|---|
| Molecular Weight | 319.11 g/mol |
| LogP | 2.8648 |
| Topological Polar Surface Area | 77.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.1103 |
| Heavy Atoms | 22 |
| Complexity | 681.62274 |
Chemical Identifiers
| CAS Number | 327050-75-9 |
|---|---|
| SMILES | CN1C=NN=C1SC2=C(C=CC(=C2)N3CCCCC3)[N+](=O)[O-] |
Product Overview
1-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine (CAS 327050-75-9), with molecular formula C14H17N5O2S and molecular weight 319.11 g/mol. IUPAC: 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine.
Chemical Property Profile of 1-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine
Property Insights of 1-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine
The XLogP value of 2.8648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine. The TPSA of 77.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine. Following Lipinski's Rule of Five, 1-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine has 0 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 1-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine?
The CAS number of 1-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine is 327050-75-9.
What is the molecular formula of 1-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine?
The molecular formula of 1-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine is C14H17N5O2S.
What is the molecular weight of 1-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine?
The molecular weight of 1-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine is 319.11 g/mol.
Where can I buy 1-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine?
You can request a quote for 1-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.