3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-9-methyl-6-(phenylmethyl)-
TL;DR: 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-9-methyl-6-(phenylmethyl)- (CAS 135446-12-7) is a chemical compound with molecular formula C14H12N6O2 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-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-9-methyl-6-(phenylmethyl)-, 2,5,6,9-Tetrahydro-9-methyl-6-benzyl-3H-1,2,4-triazolo(3,4-i)purine-3,5-dione, 6,9-Dihydro-9-methyl-6-(phenylmethyl)-3H-1,2,4-triazolo(3,4-i)purine-3,5(2H)-dione, 6-benzyl-9-methyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione, 6-Benzyl-9-methyl-6,9-dihydro-3H-[1,2,4]triazolo[3,4-i]purine-3,5(2H)-dione
| Molecular Formula | C14H12N6O2 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 0.1193 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.10217 |
| Heavy Atoms | 22 |
| Complexity | 1099.4663 |
Chemical Identifiers
| CAS Number | 135446-12-7 |
|---|---|
| SMILES | CN1C=NC2=C1C3=NNC(=O)N3C(=O)N2CC4=CC=CC=C4 |
Product Overview
3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-9-methyl-6-(phenylmethyl)- (CAS 135446-12-7), with molecular formula C14H12N6O2 and molecular weight 296.10 g/mol. IUPAC: 6-benzyl-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-9-methyl-6-(phenylmethyl)-
Property Insights of 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-9-methyl-6-(phenylmethyl)-
The XLogP value of 0.1193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-9-methyl-6-(phenylmethyl)-. 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-9-methyl-6-(phenylmethyl)-. Following Lipinski's Rule of Five, 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-9-methyl-6-(phenylmethyl)- 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-9-methyl-6-(phenylmethyl)-?
The CAS number of 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-9-methyl-6-(phenylmethyl)- is 135446-12-7.
What is the molecular formula of 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-9-methyl-6-(phenylmethyl)-?
The molecular formula of 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-9-methyl-6-(phenylmethyl)- is C14H12N6O2.
What is the molecular weight of 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-9-methyl-6-(phenylmethyl)-?
The molecular weight of 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-9-methyl-6-(phenylmethyl)- is 296.10 g/mol.
Where can I buy 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-9-methyl-6-(phenylmethyl)-?
You can request a quote for 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-9-methyl-6-(phenylmethyl)- 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-9-methyl-6-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-9-methyl-6-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.