3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-6-butyl-9-methyl-
TL;DR: 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-6-butyl-9-methyl- (CAS 135446-20-7) is a chemical compound with molecular formula C11H14N6O2 and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-butyl-9-methyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione
Also Known As: 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-6-butyl-9-methyl-, 6,9-Dihydro-6-butyl-9-methyl-3H-1,2,4-triazolo(3,4-i)purine-3,5(2H)-dione, 2,5,6,9-Tetrahydro-6-n-butyl-9-methyl-3H-1,2,4-triazolo(3,4-i)purine-3,5-dione, 6-butyl-9-methyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione, 6-Butyl-9-methyl-6,9-dihydro-3H-[1,2,4]triazolo[3,4-i]purine-3,5(2H)-dione
| Molecular Formula | C11H14N6O2 |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | -0.1289 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.11783 |
| Heavy Atoms | 19 |
| Complexity | 864.93195 |
Chemical Identifiers
| CAS Number | 135446-20-7 |
|---|---|
| SMILES | CCCCN1C2=C(C3=NNC(=O)N3C1=O)N(C=N2)C |
Product Overview
3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-6-butyl-9-methyl- (CAS 135446-20-7), with molecular formula C11H14N6O2 and molecular weight 262.12 g/mol. IUPAC: 6-butyl-9-methyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione.
Chemical Property Profile of 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-6-butyl-9-methyl-
Property Insights of 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-6-butyl-9-methyl-
The XLogP value of -0.1289 indicates that 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-6-butyl-9-methyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-6-butyl-9-methyl-. Following Lipinski's Rule of Five, 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-6-butyl-9-methyl- has 1 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 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-6-butyl-9-methyl-?
The CAS number of 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-6-butyl-9-methyl- is 135446-20-7.
What is the molecular formula of 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-6-butyl-9-methyl-?
The molecular formula of 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-6-butyl-9-methyl- is C11H14N6O2.
What is the molecular weight of 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-6-butyl-9-methyl-?
The molecular weight of 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-6-butyl-9-methyl- is 262.12 g/mol.
Where can I buy 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-6-butyl-9-methyl-?
You can request a quote for 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-6-butyl-9-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-6-butyl-9-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-6-butyl-9-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.