8-Bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine
TL;DR: 8-Bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine (CAS 117267-51-3) is a chemical compound with molecular formula C20H14BrClN6 and molecular weight 452.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-6-(2-chlorophenyl)-1-(5-methyl-1H-imidazol-4-yl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Also Known As: 8-Bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine, AE-641/30155040, 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-(5-methyl-1H-imidazol-4-yl)-, 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-(4-methyl-1H-imidazol-5-yl)-, 8-bromo-6-(2-chlorophenyl)-1-(5-methyl-1H-imidazol-4-yl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
| Molecular Formula | C20H14BrClN6 |
|---|---|
| Molecular Weight | 452.02 g/mol |
| LogP | 4.73272 |
| Topological Polar Surface Area | 71.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 452.01517 |
| Heavy Atoms | 28 |
| Complexity | 1239.2343 |
Chemical Identifiers
| CAS Number | 117267-51-3 |
|---|---|
| SMILES | CC1=C(N=CN1)C2=NN=C3N2C4=C(C=C(C=C4)Br)C(=NC3)C5=CC=CC=C5Cl |
Product Overview
8-Bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine (CAS 117267-51-3), with molecular formula C20H14BrClN6 and molecular weight 452.02 g/mol. IUPAC: 8-bromo-6-(2-chlorophenyl)-1-(5-methyl-1H-imidazol-4-yl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine.
Chemical Property Profile of 8-Bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine
Property Insights of 8-Bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine
The XLogP value of 4.73272 indicates that 8-Bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine. Following Lipinski's Rule of Five, 8-Bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine 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 8-Bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine?
The CAS number of 8-Bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine is 117267-51-3.
What is the molecular formula of 8-Bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine?
The molecular formula of 8-Bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine is C20H14BrClN6.
What is the molecular weight of 8-Bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine?
The molecular weight of 8-Bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine is 452.02 g/mol.
Where can I buy 8-Bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine?
You can request a quote for 8-Bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 8-Bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.