O(6)-(2-cyanoethyl)guanine
TL;DR: O(6)-(2-cyanoethyl)guanine (CAS 13908-94-6) is a chemical compound with molecular formula C8H8N6O and molecular weight 204.07596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-amino-7H-purin-6-yl)oxy]propanenitrile
Also Known As: O(6)-(2-Cyanoethyl)guanine, 3-[(2-amino-7h-purin-6-yl)oxy]propanenitrile, 5-Isoxazolol, 3-(3,5-difluorophenyl)-, Propanenitrile,3-[(2-amino-9H-purin-6-yl)oxy]-, Propanenitrile, 3-((2-amino-1H-purin-6-yl)oxy)-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8N6O |
| Molecular Weight | 204.07596 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.07596 Da |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
| SMILES | C1=NC2=C(N1)C(=NC(=N2)N)OCCC#N |
| InChIKey | SGRXVOKUPDFBAC-UHFFFAOYSA-N |
Chemical Property Profile of O(6)-(2-cyanoethyl)guanine
Property Insights of O(6)-(2-cyanoethyl)guanine
The XLogP value of -0.6 indicates that O(6)-(2-cyanoethyl)guanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O(6)-(2-cyanoethyl)guanine. Following Lipinski's Rule of Five, O(6)-(2-cyanoethyl)guanine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of O(6)-(2-cyanoethyl)guanine?
The CAS number of O(6)-(2-cyanoethyl)guanine is 13908-94-6.
What is the molecular formula of O(6)-(2-cyanoethyl)guanine?
The molecular formula of O(6)-(2-cyanoethyl)guanine is C8H8N6O.
What is the molecular weight of O(6)-(2-cyanoethyl)guanine?
The molecular weight of O(6)-(2-cyanoethyl)guanine is 204.07596 g/mol.
Where can I buy O(6)-(2-cyanoethyl)guanine?
You can request a quote for O(6)-(2-cyanoethyl)guanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O(6)-(2-cyanoethyl)guanine?
Yes, CoreyChem provides custom synthesis services for O(6)-(2-cyanoethyl)guanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.