4-((3-Bromobenzylidene)amino)-5-(2-CL-PH)-4H-1,2,4-triazol-3-YL hydrosulfide
TL;DR: 4-((3-Bromobenzylidene)amino)-5-(2-CL-PH)-4H-1,2,4-triazol-3-YL hydrosulfide (CAS 478253-79-1) is a chemical compound with molecular formula C15H10BrClN4S and molecular weight 391.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-bromophenyl)methylideneamino]-3-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((3-Bromobenzylidene)amino)-3-(2-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione, 4-((3-BROMOBENZYLIDENE)AMINO)-5-(2-CL-PH)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE, (E)-4-((3-bromobenzylidene)amino)-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3-bromophenyl)-1-azavinyl]-5-(2-chlorophenyl)-1,2,4-triazole-3-thio l, 4-[(E)-(3-bromophenyl)methylideneamino]-3-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H10BrClN4S |
|---|---|
| Molecular Weight | 391.95 g/mol |
| LogP | 4.90579 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.9498 |
| Heavy Atoms | 22 |
| Complexity | 900.30817 |
Chemical Identifiers
| CAS Number | 478253-79-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)Br)Cl |
Product Overview
4-((3-Bromobenzylidene)amino)-5-(2-CL-PH)-4H-1,2,4-triazol-3-YL hydrosulfide (CAS 478253-79-1), with molecular formula C15H10BrClN4S and molecular weight 391.95 g/mol. IUPAC: 4-[(E)-(3-bromophenyl)methylideneamino]-3-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((3-Bromobenzylidene)amino)-5-(2-CL-PH)-4H-1,2,4-triazol-3-YL hydrosulfide
Property Insights of 4-((3-Bromobenzylidene)amino)-5-(2-CL-PH)-4H-1,2,4-triazol-3-YL hydrosulfide
The XLogP value of 4.90579 indicates that 4-((3-Bromobenzylidene)amino)-5-(2-CL-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 45.97 Ų, 4-((3-Bromobenzylidene)amino)-5-(2-CL-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-((3-Bromobenzylidene)amino)-5-(2-CL-PH)-4H-1,2,4-triazol-3-YL hydrosulfide has 1 hydrogen bond donor(s) and 3 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-((3-Bromobenzylidene)amino)-5-(2-CL-PH)-4H-1,2,4-triazol-3-YL hydrosulfide?
The CAS number of 4-((3-Bromobenzylidene)amino)-5-(2-CL-PH)-4H-1,2,4-triazol-3-YL hydrosulfide is 478253-79-1.
What is the molecular formula of 4-((3-Bromobenzylidene)amino)-5-(2-CL-PH)-4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular formula of 4-((3-Bromobenzylidene)amino)-5-(2-CL-PH)-4H-1,2,4-triazol-3-YL hydrosulfide is C15H10BrClN4S.
What is the molecular weight of 4-((3-Bromobenzylidene)amino)-5-(2-CL-PH)-4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular weight of 4-((3-Bromobenzylidene)amino)-5-(2-CL-PH)-4H-1,2,4-triazol-3-YL hydrosulfide is 391.95 g/mol.
Where can I buy 4-((3-Bromobenzylidene)amino)-5-(2-CL-PH)-4H-1,2,4-triazol-3-YL hydrosulfide?
You can request a quote for 4-((3-Bromobenzylidene)amino)-5-(2-CL-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-((3-Bromobenzylidene)amino)-5-(2-CL-PH)-4H-1,2,4-triazol-3-YL hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-Bromobenzylidene)amino)-5-(2-CL-PH)-4H-1,2,4-triazol-3-YL hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.