![3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine structure](/static/products/6777/677768-87-5.webp)
3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine
TL;DR: 3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine (CAS 677768-87-5) is a chemical compound with molecular formula C18H19BrN4OS and molecular weight 418.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine
Also Known As: 3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine, 3-[(4-bromophenyl)methylsulfanyl]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine, 3-((4-bromobenzyl)thio)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-4-amine, 3-[(4-bromophenyl)methylthio]-5-[3-(methylethoxy)phenyl]-1,2,4-triazole-4-ylam ine
| Molecular Formula | C18H19BrN4OS |
|---|---|
| Molecular Weight | 418.05 g/mol |
| LogP | 4.5009 |
| Topological Polar Surface Area | 65.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.0463 |
| Heavy Atoms | 25 |
| Complexity | 848.53735 |
Chemical Identifiers
| CAS Number | 677768-87-5 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)Br |
Product Overview
3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine (CAS 677768-87-5), with molecular formula C18H19BrN4OS and molecular weight 418.05 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine
Property Insights of 3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine
The XLogP value of 4.5009 indicates that 3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine 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 3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine?
The CAS number of 3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine is 677768-87-5.
What is the molecular formula of 3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine is C18H19BrN4OS.
What is the molecular weight of 3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine is 418.05 g/mol.
Where can I buy 3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-bromobenzyl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.