4-(6-amino-7H-purin-8-yl)benzonitrile
TL;DR: 4-(6-amino-7H-purin-8-yl)benzonitrile (CAS 501658-57-7) is a chemical compound with molecular formula C12H8N6 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-amino-7H-purin-8-yl)benzonitrile
Also Known As: 4-(6-amino-7H-purin-8-yl)benzonitrile
| Molecular Formula | C12H8N6 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.08104 |
| Heavy Atoms | 18 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 501658-57-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C2=NC3=NC=NC(=C3N2)N |
| InChIKey | KTRUTMJMBDYQPP-UHFFFAOYSA-N |
Product Overview
4-(6-amino-7H-purin-8-yl)benzonitrile (CAS 501658-57-7), with molecular formula C12H8N6 and molecular weight 236.08 g/mol. IUPAC: 4-(6-amino-7H-purin-8-yl)benzonitrile.
Chemical Property Profile of 4-(6-amino-7H-purin-8-yl)benzonitrile
Property Insights of 4-(6-amino-7H-purin-8-yl)benzonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(6-amino-7H-purin-8-yl)benzonitrile. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6-amino-7H-purin-8-yl)benzonitrile. Following Lipinski's Rule of Five, 4-(6-amino-7H-purin-8-yl)benzonitrile has 2 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 4-(6-amino-7H-purin-8-yl)benzonitrile?
The CAS number of 4-(6-amino-7H-purin-8-yl)benzonitrile is 501658-57-7.
What is the molecular formula of 4-(6-amino-7H-purin-8-yl)benzonitrile?
The molecular formula of 4-(6-amino-7H-purin-8-yl)benzonitrile is C12H8N6.
What is the molecular weight of 4-(6-amino-7H-purin-8-yl)benzonitrile?
The molecular weight of 4-(6-amino-7H-purin-8-yl)benzonitrile is 236.08 g/mol.
Where can I buy 4-(6-amino-7H-purin-8-yl)benzonitrile?
You can request a quote for 4-(6-amino-7H-purin-8-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-amino-7H-purin-8-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-amino-7H-purin-8-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.