![2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile structure](/static/products/896/896798-19-9.png)
2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile
TL;DR: 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile (CAS 896798-19-9) is a chemical compound with molecular formula C21H17N7S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetonitrile
Also Known As: 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile, 2-[[2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetonitrile, ({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}thio)acetonitrile, ({2-[2-(2-METHYL-1H-1,3-BENZIMIDAZOL-1-YL)ETHYL][1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-YL}SULFANYL)METHYL CYANIDE
| Molecular Formula | C21H17N7S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 3.794 |
| Topological Polar Surface Area | 84.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.12662 |
| Heavy Atoms | 29 |
| Complexity | 1393.2352 |
Chemical Identifiers
| CAS Number | 896798-19-9 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2N1CCC3=NN4C(=N3)C5=CC=CC=C5N=C4SCC#N |
Product Overview
2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile (CAS 896798-19-9), with molecular formula C21H17N7S and molecular weight 399.13 g/mol. IUPAC: 2-[[2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetonitrile.
Chemical Property Profile of 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile
Property Insights of 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile
The XLogP value of 3.794 indicates that 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile. Following Lipinski's Rule of Five, 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile has 0 hydrogen bond donor(s) and 6 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 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile?
The CAS number of 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile is 896798-19-9.
What is the molecular formula of 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile?
The molecular formula of 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile is C21H17N7S.
What is the molecular weight of 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile?
The molecular weight of 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile is 399.13 g/mol.
Where can I buy 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile?
You can request a quote for 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.