3-Deazaadenine
TL;DR: 3-Deazaadenine (CAS 1414781-80-8) is a chemical compound with molecular formula C6H6N4 and molecular weight 134.05925 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1H-imidazo[4,5-c]pyridin-4-amine
Also Known As: 1H-imidazo[4,5-c]pyridin-4-amine, 3-Deazaadenine, 3-Deazaadenine;, 3H-Imidazo[4,5-c]pyridin-4-amine, 1H-Imidazo(4,5-c)pyridin-4-amine
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6N4 |
| Molecular Weight | 134.05925 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.05925 Da |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
| SMILES | C1=CN=C(C2=C1NC=N2)N |
| InChIKey | UHUHBFMZVCOEOV-UHFFFAOYSA-N |
Chemical Property Profile of 3-Deazaadenine
Property Insights of 3-Deazaadenine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Deazaadenine. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Deazaadenine. Following Lipinski's Rule of Five, 3-Deazaadenine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Deazaadenine?
The CAS number of 3-Deazaadenine is 1414781-80-8.
What is the molecular formula of 3-Deazaadenine?
The molecular formula of 3-Deazaadenine is C6H6N4.
What is the molecular weight of 3-Deazaadenine?
The molecular weight of 3-Deazaadenine is 134.05925 g/mol.
Where can I buy 3-Deazaadenine?
You can request a quote for 3-Deazaadenine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Deazaadenine?
Yes, CoreyChem provides custom synthesis services for 3-Deazaadenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.