![2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine structure](/static/products/3029/302901-18-4.webp)
2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine
TL;DR: 2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine (CAS 302901-18-4) is a chemical compound with molecular formula C25H19N5O2S2 and molecular weight 485.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(naphthalen-1-ylmethylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine
Also Known As: 2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine, 2-[[5-(naphthalen-1-ylmethylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine, 2-[[5-(naphthalen-1-ylmethylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine, 2-{[5-({[(Naphthalen-1-yl)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine
| Molecular Formula | C25H19N5O2S2 |
|---|---|
| Molecular Weight | 485.10 g/mol |
| LogP | 6.3083 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.09802 |
| Heavy Atoms | 34 |
| Complexity | 1451.2188 |
Chemical Identifiers
| CAS Number | 302901-18-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SC3=C(C=CC=N3)[N+](=O)[O-])CSCC4=CC=CC5=CC=CC=C54 |
Product Overview
2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine (CAS 302901-18-4), with molecular formula C25H19N5O2S2 and molecular weight 485.10 g/mol. IUPAC: 2-[[5-(naphthalen-1-ylmethylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine.
Chemical Property Profile of 2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine
Property Insights of 2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine
The XLogP value of 6.3083 indicates that 2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine. Following Lipinski's Rule of Five, 2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine?
The CAS number of 2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine is 302901-18-4.
What is the molecular formula of 2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine?
The molecular formula of 2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine is C25H19N5O2S2.
What is the molecular weight of 2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine?
The molecular weight of 2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine is 485.10 g/mol.
Where can I buy 2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine?
You can request a quote for 2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-[[(1-Naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.