4-((4-BR-Benzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide
TL;DR: 4-((4-BR-Benzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide (CAS 613249-70-0) is a chemical compound with molecular formula C17H15BrN4OS and molecular weight 402.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-bromophenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((4-BR-BENZYLIDENE)AMINO)-5-(3-ETHOXY-PH)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE, 4-((4-Bromobenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione, (E)-4-((4-bromobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(4-bromophenyl)-1-azavinyl]-5-(3-ethoxyphenyl)-1,2,4-triazole-3-thio l, 4-[(E)-(4-bromophenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C17H15BrN4OS |
|---|---|
| Molecular Weight | 402.01 g/mol |
| LogP | 4.65109 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.01498 |
| Heavy Atoms | 24 |
| Complexity | 914.84 |
Chemical Identifiers
| CAS Number | 613249-70-0 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)Br |
Product Overview
4-((4-BR-Benzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide (CAS 613249-70-0), with molecular formula C17H15BrN4OS and molecular weight 402.01 g/mol. IUPAC: 4-[(E)-(4-bromophenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((4-BR-Benzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide
Property Insights of 4-((4-BR-Benzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide
The XLogP value of 4.65109 indicates that 4-((4-BR-Benzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide 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-((4-BR-Benzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-BR-Benzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide 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-((4-BR-Benzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide?
The CAS number of 4-((4-BR-Benzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide is 613249-70-0.
What is the molecular formula of 4-((4-BR-Benzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular formula of 4-((4-BR-Benzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide is C17H15BrN4OS.
What is the molecular weight of 4-((4-BR-Benzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular weight of 4-((4-BR-Benzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide is 402.01 g/mol.
Where can I buy 4-((4-BR-Benzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide?
You can request a quote for 4-((4-BR-Benzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-BR-Benzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-BR-Benzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.