![3-Benzyl-3h-[1,2,4]triazolo[5,1-i]purine structure](/static/products/5315/5315-40-2.webp)
3-Benzyl-3h-[1,2,4]triazolo[5,1-i]purine
TL;DR: 3-Benzyl-3h-[1,2,4]triazolo[5,1-i]purine (CAS 5315-40-2) is a chemical compound with molecular formula C13H10N6 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-[1,2,4]triazolo[5,1-f]purine
Also Known As: 3-benzyl-3h-[1,2,4]triazolo[5,1-i]purine, 3-benzyl-[1,2,4]triazolo[5,1-f]purine
| Molecular Formula | C13H10N6 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.0967 |
| Heavy Atoms | 19 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 5315-40-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C2N=CN4C3=NC=N4 |
| InChIKey | JYVQPVOBWNRPBI-UHFFFAOYSA-N |
Product Overview
3-Benzyl-3h-[1,2,4]triazolo[5,1-i]purine (CAS 5315-40-2), with molecular formula C13H10N6 and molecular weight 250.10 g/mol. IUPAC: 3-benzyl-[1,2,4]triazolo[5,1-f]purine.
Chemical Property Profile of 3-Benzyl-3h-[1,2,4]triazolo[5,1-i]purine
Property Insights of 3-Benzyl-3h-[1,2,4]triazolo[5,1-i]purine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-3h-[1,2,4]triazolo[5,1-i]purine. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-3h-[1,2,4]triazolo[5,1-i]purine. Following Lipinski's Rule of Five, 3-Benzyl-3h-[1,2,4]triazolo[5,1-i]purine 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
Frequently Asked Questions
What is the CAS number of 3-Benzyl-3h-[1,2,4]triazolo[5,1-i]purine?
The CAS number of 3-Benzyl-3h-[1,2,4]triazolo[5,1-i]purine is 5315-40-2.
What is the molecular formula of 3-Benzyl-3h-[1,2,4]triazolo[5,1-i]purine?
The molecular formula of 3-Benzyl-3h-[1,2,4]triazolo[5,1-i]purine is C13H10N6.
What is the molecular weight of 3-Benzyl-3h-[1,2,4]triazolo[5,1-i]purine?
The molecular weight of 3-Benzyl-3h-[1,2,4]triazolo[5,1-i]purine is 250.10 g/mol.
Where can I buy 3-Benzyl-3h-[1,2,4]triazolo[5,1-i]purine?
You can request a quote for 3-Benzyl-3h-[1,2,4]triazolo[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 3-Benzyl-3h-[1,2,4]triazolo[5,1-i]purine?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-3h-[1,2,4]triazolo[5,1-i]purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.