4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-((methylthio)methyl)-
TL;DR: 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-((methylthio)methyl)- (CAS 87245-49-6) is a chemical compound with molecular formula C18H14BrClN4S and molecular weight 431.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-6-(2-chlorophenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Also Known As: 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-((methylthio)methyl)-, 8-Bromo-6-(2-chlorophenyl)-1-(methylthiomethyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine, 8-Bromo-6-(2-chlorophenyl)-1-[(methylsulfanyl)methyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine, BRN 4580033
| Molecular Formula | C18H14BrClN4S |
|---|---|
| Molecular Weight | 431.98 g/mol |
| LogP | 4.8972 |
| Topological Polar Surface Area | 43.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.9811 |
| Heavy Atoms | 25 |
| Complexity | 982.95746 |
Chemical Identifiers
| CAS Number | 87245-49-6 |
|---|---|
| SMILES | CSCC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=C4Cl |
Product Overview
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-((methylthio)methyl)- (CAS 87245-49-6), with molecular formula C18H14BrClN4S and molecular weight 431.98 g/mol. IUPAC: 8-bromo-6-(2-chlorophenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine.
Chemical Property Profile of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-((methylthio)methyl)-
Property Insights of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-((methylthio)methyl)-
The XLogP value of 4.8972 indicates that 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-((methylthio)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.07 Ų, 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-((methylthio)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-((methylthio)methyl)- has 0 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 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-((methylthio)methyl)-?
The CAS number of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-((methylthio)methyl)- is 87245-49-6.
What is the molecular formula of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-((methylthio)methyl)-?
The molecular formula of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-((methylthio)methyl)- is C18H14BrClN4S.
What is the molecular weight of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-((methylthio)methyl)-?
The molecular weight of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-((methylthio)methyl)- is 431.98 g/mol.
Where can I buy 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-((methylthio)methyl)-?
You can request a quote for 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-((methylthio)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-((methylthio)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-bromo-6-(2-chlorophenyl)-1-((methylthio)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.