![9-Benzyl-9h-tetrazolo[5,1-i]purine structure](/static/products/1725/17258-84-3.webp)
9-Benzyl-9h-tetrazolo[5,1-i]purine
TL;DR: 9-Benzyl-9h-tetrazolo[5,1-i]purine (CAS 17258-84-3) is a chemical compound with molecular formula C12H9N7 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyltetrazolo[5,1-f]purine
Also Known As: 9-benzyl-9h-tetrazolo[5,1-i]purine, 9-benzyltetrazolo[5,1-f]purine
| Molecular Formula | C12H9N7 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.09195 |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 17258-84-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C2C4=NN=NN4C=N3 |
| InChIKey | XFLFVUHQKFFWTJ-UHFFFAOYSA-N |
Product Overview
9-Benzyl-9h-tetrazolo[5,1-i]purine (CAS 17258-84-3), with molecular formula C12H9N7 and molecular weight 251.09 g/mol. IUPAC: 9-benzyltetrazolo[5,1-f]purine.
Chemical Property Profile of 9-Benzyl-9h-tetrazolo[5,1-i]purine
Property Insights of 9-Benzyl-9h-tetrazolo[5,1-i]purine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Benzyl-9h-tetrazolo[5,1-i]purine. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Benzyl-9h-tetrazolo[5,1-i]purine. Following Lipinski's Rule of Five, 9-Benzyl-9h-tetrazolo[5,1-i]purine 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
Frequently Asked Questions
What is the CAS number of 9-Benzyl-9h-tetrazolo[5,1-i]purine?
The CAS number of 9-Benzyl-9h-tetrazolo[5,1-i]purine is 17258-84-3.
What is the molecular formula of 9-Benzyl-9h-tetrazolo[5,1-i]purine?
The molecular formula of 9-Benzyl-9h-tetrazolo[5,1-i]purine is C12H9N7.
What is the molecular weight of 9-Benzyl-9h-tetrazolo[5,1-i]purine?
The molecular weight of 9-Benzyl-9h-tetrazolo[5,1-i]purine is 251.09 g/mol.
Where can I buy 9-Benzyl-9h-tetrazolo[5,1-i]purine?
You can request a quote for 9-Benzyl-9h-tetrazolo[5,1-i]purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Benzyl-9h-tetrazolo[5,1-i]purine?
Yes, KEHONG BIO provides custom synthesis services for 9-Benzyl-9h-tetrazolo[5,1-i]purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.