![2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine structure](/static/products/6766/676641-07-9.webp)
2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine
TL;DR: 2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine (CAS 676641-07-9) is a chemical compound with molecular formula C18H14N6O3S and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine
Also Known As: 2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine, 2-(4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyrazine, 2-{4-(furan-2-ylmethyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyrazine, 4-(2-furylmethyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole, 2-[4-(furan-2-ylmethyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyrazine
| Molecular Formula | C18H14N6O3S |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 3.5769 |
| Topological Polar Surface Area | 112.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.0848 |
| Heavy Atoms | 28 |
| Complexity | 1064.6711 |
Chemical Identifiers
| CAS Number | 676641-07-9 |
|---|---|
| SMILES | C1=COC(=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=NC=CN=C4 |
Product Overview
2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine (CAS 676641-07-9), with molecular formula C18H14N6O3S and molecular weight 394.08 g/mol. IUPAC: 2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine.
Chemical Property Profile of 2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine
Property Insights of 2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine
The XLogP value of 3.5769 indicates that 2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine. Following Lipinski's Rule of Five, 2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine has 0 hydrogen bond donor(s) and 8 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-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine?
The CAS number of 2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine is 676641-07-9.
What is the molecular formula of 2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine?
The molecular formula of 2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine is C18H14N6O3S.
What is the molecular weight of 2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine?
The molecular weight of 2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine is 394.08 g/mol.
Where can I buy 2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine?
You can request a quote for 2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.