![2-[5-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine structure](/static/products/7122/712282-59-2.webp)
2-[5-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
TL;DR: 2-[5-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine (CAS 712282-59-2) is a chemical compound with molecular formula C20H15N5O2S and molecular weight 389.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
Also Known As: CBKinase1_009106, CBKinase1_021506, BRD-K13690044-001-01-4, 2-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine, 2-(5-((4-nitrobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine
| Molecular Formula | C20H15N5O2S |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | 4.5298 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.09464 |
| Heavy Atoms | 28 |
| Complexity | 1082.8063 |
Chemical Identifiers
| CAS Number | 712282-59-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=N4 |
Product Overview
2-[5-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine (CAS 712282-59-2), with molecular formula C20H15N5O2S and molecular weight 389.09 g/mol. IUPAC: 2-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 2-[5-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
Property Insights of 2-[5-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
The XLogP value of 4.5298 indicates that 2-[5-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine 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-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine. Following Lipinski's Rule of Five, 2-[5-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine 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 2-[5-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine?
The CAS number of 2-[5-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine is 712282-59-2.
What is the molecular formula of 2-[5-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine?
The molecular formula of 2-[5-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine is C20H15N5O2S.
What is the molecular weight of 2-[5-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine?
The molecular weight of 2-[5-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine is 389.09 g/mol.
Where can I buy 2-[5-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine?
You can request a quote for 2-[5-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine 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-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.