2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile
TL;DR: 2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile (CAS 438024-06-7) is a chemical compound with molecular formula C13H8Cl2N6 and molecular weight 318.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile
Also Known As: 2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile, 2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile, 2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methylbenzoimidazol-2-yl)acetonitrile
| Molecular Formula | C13H8Cl2N6 |
|---|---|
| Molecular Weight | 318.02 g/mol |
| LogP | 2.72058 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.01874 |
| Heavy Atoms | 21 |
| Complexity | 846.46423 |
Chemical Identifiers
| CAS Number | 438024-06-7 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1C(C#N)C3=NC(=NC(=N3)Cl)Cl |
Product Overview
2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile (CAS 438024-06-7), with molecular formula C13H8Cl2N6 and molecular weight 318.02 g/mol. IUPAC: 2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile.
Chemical Property Profile of 2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile
Property Insights of 2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile
The XLogP value of 2.72058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile. Following Lipinski's Rule of Five, 2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile has 0 hydrogen bond donor(s) and 5 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-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile?
The CAS number of 2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile is 438024-06-7.
What is the molecular formula of 2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile?
The molecular formula of 2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile is C13H8Cl2N6.
What is the molecular weight of 2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile?
The molecular weight of 2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile is 318.02 g/mol.
Where can I buy 2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile?
You can request a quote for 2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.