5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate
TL;DR: 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate (CAS 135445-98-6) is a chemical compound with molecular formula C20H16N6O and molecular weight 356.13855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-benzyl-9-methyl-3-phenyl-[1,2,4]triazolo[3,4-f]purin-5-one
Also Known As: 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate, 6,9-Dihydro-3-phenyl-9-methyl-6-benzyl-5H-1,2,4-triazolo(3,4-i)purin-5-one hydrate, 9-Methyl-3-phenyl-6-(phenylmethyl)-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one hydrate, 5H-1,2,4-Triazolo[3,4-i]purin-5-one,6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, 6-benzyl-9-methyl-3-phenyl-[1,2,4]triazolo[3,4-f]purin-5-one
Technical Specifications
| Molecular Formula | C20H16N6O |
| Molecular Weight | 356.13855 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.13855 Da |
| Heavy Atoms | 27 |
| Complexity | 547.0 |
| SMILES | CN1C=NC2=C1C3=NN=C(N3C(=O)N2CC4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | NHSJQZVUAOVWLP-UHFFFAOYSA-N |
Chemical Property Profile of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate
Property Insights of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate. Following Lipinski's Rule of Five, 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate 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
What is the CAS number of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate?
The CAS number of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate is 135445-98-6.
What is the molecular formula of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate?
The molecular formula of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate is C20H16N6O.
What is the molecular weight of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate?
The molecular weight of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate is 356.13855 g/mol.
Where can I buy 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate?
You can request a quote for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate?
Yes, CoreyChem provides custom synthesis services for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.