![1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one structure](/static/products/866/866864-83-7.png)
1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
TL;DR: 1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one (CAS 866864-83-7) is a chemical compound with molecular formula C27H21ClN6OS and molecular weight 512.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[[2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone
Also Known As: 1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one, 1-(4-chlorophenyl)-2-[[2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone, 1-(4-chlorophenyl)-2-((2-(2-(2-methyl-1H-benzo[d]imidazol-1-yl)ethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)thio)ethanone, 1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}thio)ethanone, 1-(p-chlorophenyl)-2-{4-[2-(2-methyl-1H-1,3-benzimidazol-1-yl)ethyl]-3,5,6,8-tetraazatricyclo[7.4.0.0(2),]trideca-1(9),2,4,7,10,12-hexaen-7-ylthio}-1-ethanone
| Molecular Formula | C27H21ClN6OS |
|---|---|
| Molecular Weight | 512.12 g/mol |
| LogP | 5.80672 |
| Topological Polar Surface Area | 77.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.1186 |
| Heavy Atoms | 36 |
| Complexity | 1741.0712 |
Chemical Identifiers
| CAS Number | 866864-83-7 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2N1CCC3=NN4C(=N3)C5=CC=CC=C5N=C4SCC(=O)C6=CC=C(C=C6)Cl |
Product Overview
1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one (CAS 866864-83-7), with molecular formula C27H21ClN6OS and molecular weight 512.12 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
Property Insights of 1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
The XLogP value of 5.80672 indicates that 1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one?
The CAS number of 1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one is 866864-83-7.
What is the molecular formula of 1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one?
The molecular formula of 1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one is C27H21ClN6OS.
What is the molecular weight of 1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one?
The molecular weight of 1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one is 512.12 g/mol.
Where can I buy 1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one?
You can request a quote for 1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.