5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-propyl-, dihydrate
TL;DR: 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-propyl-, dihydrate (CAS 135445-72-6) is a chemical compound with molecular formula C16H16N6O and molecular weight 308.13855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-methyl-3-phenyl-6-propyl-[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-propyl-, dihydrate, 6,9-Dihydro-9-methyl-3-phenyl-6-n-propyl-5H-1,2,4-triazolo(3,4-i)-5-one dihydrate, 9-Methyl-3-phenyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one hydrate, 9-methyl-3-phenyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one, 5H-1,2,4-Triazolo[3,4-i]purin-5-one,6,9-dihydro-9-methyl-3-phenyl-6-propyl-
Technical Specifications
| Molecular Formula | C16H16N6O |
| Molecular Weight | 308.13855 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.13855 Da |
| Heavy Atoms | 23 |
| Complexity | 454.0 |
| SMILES | CCCN1C2=C(C3=NN=C(N3C1=O)C4=CC=CC=C4)N(C=N2)C |
| InChIKey | BDTCBQIXVHPMKM-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-propyl-, dihydrate
Property Insights of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-propyl-, dihydrate
The XLogP value of 1.6 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-propyl-, dihydrate. 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-propyl-, dihydrate. 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-propyl-, dihydrate 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-propyl-, dihydrate?
The CAS number of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-propyl-, dihydrate is 135445-72-6.
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-propyl-, dihydrate?
The molecular formula of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-propyl-, dihydrate is C16H16N6O.
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-propyl-, dihydrate?
The molecular weight of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-propyl-, dihydrate is 308.13855 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-propyl-, dihydrate?
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-propyl-, dihydrate 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-propyl-, dihydrate?
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-propyl-, dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.