![(E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine structure](/static/products/828/828280-58-6.png)
(E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine
TL;DR: (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine (CAS 828280-58-6) is a chemical compound with molecular formula C16H13F2N5O4S and molecular weight 409.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine
Also Known As: (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine, 3-(difluoromethyl)-5-(methylsulfanyl)-N-[(E)-{5-[(4-nitrophenoxy)methyl]furan-2-yl}methylidene]-4H-1,2,4-triazol-4-amine, N-[3-(DIFLUOROMETHYL)-5-(METHYLSULFANYL)-4H-1,2,4-TRIAZOL-4-YL]-N-((E)-1-{5-[(4-NITROPHENOXY)METHYL]-2-FURYL}METHYLIDENE)AMINE
| Molecular Formula | C16H13F2N5O4S |
|---|---|
| Molecular Weight | 409.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 108.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.06564 |
| Heavy Atoms | 28 |
| Complexity | 987.3435 |
Chemical Identifiers
| CAS Number | 828280-58-6 |
|---|---|
| SMILES | CSC1=NN=C(N1/N=C/C2=CC=C(O2)COC3=CC=C(C=C3)[N+](=O)[O-])C(F)F |
Product Overview
(E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine (CAS 828280-58-6), with molecular formula C16H13F2N5O4S and molecular weight 409.07 g/mol. IUPAC: (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine.
Chemical Property Profile of (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine
Property Insights of (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine
The XLogP value of 3.9 indicates that (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.58 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine. Following Lipinski's Rule of Five, (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine 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 (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine?
The CAS number of (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine is 828280-58-6.
What is the molecular formula of (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine?
The molecular formula of (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine is C16H13F2N5O4S.
What is the molecular weight of (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine?
The molecular weight of (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine is 409.07 g/mol.
Where can I buy (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine?
You can request a quote for (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.