![4-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol structure](/static/products/488/488707-53-5.png)
4-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol
TL;DR: 4-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol (CAS 488707-53-5) is a chemical compound with molecular formula C16H13BrN4OS and molecular weight 388.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 00320685, 4-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol, 4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol, (E)-4-((5-bromo-2-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-((5-BROMO-2-METHOXYBENZYLIDENE)AMINO)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C16H13BrN4OS |
|---|---|
| Molecular Weight | 388.00 g/mol |
| LogP | 4.26099 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.99933 |
| Heavy Atoms | 23 |
| Complexity | 901.9437 |
Chemical Identifiers
| CAS Number | 488707-53-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)/C=N/N2C(=NNC2=S)C3=CC=CC=C3 |
Product Overview
4-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol (CAS 488707-53-5), with molecular formula C16H13BrN4OS and molecular weight 388.00 g/mol. IUPAC: 4-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol
Property Insights of 4-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol
The XLogP value of 4.26099 indicates that 4-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 4-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol?
The CAS number of 4-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol is 488707-53-5.
What is the molecular formula of 4-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 4-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol is C16H13BrN4OS.
What is the molecular weight of 4-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 4-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol is 388.00 g/mol.
Where can I buy 4-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 4-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(5-Bromo-2-methoxy-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.