2-(6-chloro-9H-purin-9-yl)acetonitrile
TL;DR: 2-(6-chloro-9H-purin-9-yl)acetonitrile (CAS 100114-80-5) is a chemical compound with molecular formula C7H4ClN5 and molecular weight 193.01552 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6-chloropurin-9-yl)acetonitrile
Also Known As: 2-(6-chloro-9H-purin-9-yl)acetonitrile, 6-Chloro-9H-purine-9-acetonitrile, 2-(6-chloropurin-9-yl)acetonitrile, (6-chloro-9H-purin-9-yl)acetonitrile, J3.107.706K
Technical Specifications
| Molecular Formula | C7H4ClN5 |
| Molecular Weight | 193.01552 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.01552 Da |
| Heavy Atoms | 13 |
| Complexity | 236.0 |
| SMILES | C1=NC2=C(C(=N1)Cl)N=CN2CC#N |
| InChIKey | WKOBFZAMMQPRDZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(6-chloro-9H-purin-9-yl)acetonitrile
Property Insights of 2-(6-chloro-9H-purin-9-yl)acetonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-chloro-9H-purin-9-yl)acetonitrile. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-chloro-9H-purin-9-yl)acetonitrile. Following Lipinski's Rule of Five, 2-(6-chloro-9H-purin-9-yl)acetonitrile 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
What is the CAS number of 2-(6-chloro-9H-purin-9-yl)acetonitrile?
The CAS number of 2-(6-chloro-9H-purin-9-yl)acetonitrile is 100114-80-5.
What is the molecular formula of 2-(6-chloro-9H-purin-9-yl)acetonitrile?
The molecular formula of 2-(6-chloro-9H-purin-9-yl)acetonitrile is C7H4ClN5.
What is the molecular weight of 2-(6-chloro-9H-purin-9-yl)acetonitrile?
The molecular weight of 2-(6-chloro-9H-purin-9-yl)acetonitrile is 193.01552 g/mol.
Where can I buy 2-(6-chloro-9H-purin-9-yl)acetonitrile?
You can request a quote for 2-(6-chloro-9H-purin-9-yl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(6-chloro-9H-purin-9-yl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(6-chloro-9H-purin-9-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.