Benzonitrile, 4-((2-chloro-6-(dimethylamino)-9H-purin-9-yl)methyl)-
TL;DR: Benzonitrile, 4-((2-chloro-6-(dimethylamino)-9H-purin-9-yl)methyl)- (CAS 115204-61-0) is a chemical compound with molecular formula C15H13ClN6 and molecular weight 312.08902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[2-chloro-6-(dimethylamino)purin-9-yl]methyl]benzonitrile
Also Known As: 4-[[2-chloro-6-(dimethylamino)purin-9-yl]methyl]benzonitrile, Benzonitrile, 4-((2-chloro-6-(dimethylamino)-9H-purin-9-yl)methyl)-, 1H-1,2,4-Triazole,1-[(4-methoxyphenyl)methyl], Benzonitrile,4-[[2-chloro-6-(dimethylamino)-9H-purin-9-yl]methyl]-, 4-{[2-Chloro-6-(dimethylamino)-9H-purin-9-yl]methyl}benzonitrile
Technical Specifications
| Molecular Formula | C15H13ClN6 |
| Molecular Weight | 312.08902 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 70.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.08902 Da |
| Heavy Atoms | 22 |
| Complexity | 427.0 |
| SMILES | CN(C)C1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)C#N)Cl |
| InChIKey | VOWQHOIVWIVHOJ-UHFFFAOYSA-N |
Chemical Property Profile of Benzonitrile, 4-((2-chloro-6-(dimethylamino)-9H-purin-9-yl)methyl)-
Property Insights of Benzonitrile, 4-((2-chloro-6-(dimethylamino)-9H-purin-9-yl)methyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-((2-chloro-6-(dimethylamino)-9H-purin-9-yl)methyl)-. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-((2-chloro-6-(dimethylamino)-9H-purin-9-yl)methyl)-. Following Lipinski's Rule of Five, Benzonitrile, 4-((2-chloro-6-(dimethylamino)-9H-purin-9-yl)methyl)- 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
What is the CAS number of Benzonitrile, 4-((2-chloro-6-(dimethylamino)-9H-purin-9-yl)methyl)-?
The CAS number of Benzonitrile, 4-((2-chloro-6-(dimethylamino)-9H-purin-9-yl)methyl)- is 115204-61-0.
What is the molecular formula of Benzonitrile, 4-((2-chloro-6-(dimethylamino)-9H-purin-9-yl)methyl)-?
The molecular formula of Benzonitrile, 4-((2-chloro-6-(dimethylamino)-9H-purin-9-yl)methyl)- is C15H13ClN6.
What is the molecular weight of Benzonitrile, 4-((2-chloro-6-(dimethylamino)-9H-purin-9-yl)methyl)-?
The molecular weight of Benzonitrile, 4-((2-chloro-6-(dimethylamino)-9H-purin-9-yl)methyl)- is 312.08902 g/mol.
Where can I buy Benzonitrile, 4-((2-chloro-6-(dimethylamino)-9H-purin-9-yl)methyl)-?
You can request a quote for Benzonitrile, 4-((2-chloro-6-(dimethylamino)-9H-purin-9-yl)methyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzonitrile, 4-((2-chloro-6-(dimethylamino)-9H-purin-9-yl)methyl)-?
Yes, CoreyChem provides custom synthesis services for Benzonitrile, 4-((2-chloro-6-(dimethylamino)-9H-purin-9-yl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.