![4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol structure](/static/products/828/828275-20-3.png)
4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol
TL;DR: 4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol (CAS 828275-20-3) is a chemical compound with molecular formula C11H9BrF2N4OS and molecular weight 361.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol
Also Known As: 4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol, 4-bromo-3-[[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol, 4-BROMO-3-({[3-(DIFLUOROMETHYL)-5-(METHYLSULFANYL)-4H-1,2,4-TRIAZOL-4-YL]IMINO}METHYL)PHENOL, 4-bromo-3-[(E)-{[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl]phenol
| Molecular Formula | C11H9BrF2N4OS |
|---|---|
| Molecular Weight | 361.96 g/mol |
| LogP | 3.2879 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.96484 |
| Heavy Atoms | 20 |
| Complexity | 647.3485 |
Chemical Identifiers
| CAS Number | 828275-20-3 |
|---|---|
| SMILES | CSC1=NN=C(N1/N=C/C2=C(C=CC(=C2)O)Br)C(F)F |
Product Overview
4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol (CAS 828275-20-3), with molecular formula C11H9BrF2N4OS and molecular weight 361.96 g/mol. IUPAC: 4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol.
Chemical Property Profile of 4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol
Property Insights of 4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol
The XLogP value of 3.2879 indicates that 4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol. Following Lipinski's Rule of Five, 4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol has 1 hydrogen bond donor(s) and 5 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 4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol?
The CAS number of 4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol is 828275-20-3.
What is the molecular formula of 4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol?
The molecular formula of 4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol is C11H9BrF2N4OS.
What is the molecular weight of 4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol?
The molecular weight of 4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol is 361.96 g/mol.
Where can I buy 4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol?
You can request a quote for 4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-3-[(E)-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]iminomethyl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.