5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-(phenylmethyl)-
TL;DR: 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-(phenylmethyl)- (CAS 135446-07-0) is a chemical compound with molecular formula C15H14N6O and molecular weight 294.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-3,9-dimethyl-[1,2,4]triazolo[3,4-f]purin-5-one
Also Known As: 6-benzyl-3,9-dimethyl-[1,2,4]triazolo[3,4-f]purin-5-one, 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-(phenylmethyl)-, 6,9-Dihydro-6-benzyl-3,9-dimethyl-5H-1,2,4-triazolo(3,4-i)purin-5-one, 3,9-Dimethyl-6-(phenylmethyl)-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one, 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-(pheny lmethyl)-
| Molecular Formula | C15H14N6O |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | 1.13442 |
| Topological Polar Surface Area | 70.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.1229 |
| Heavy Atoms | 22 |
| Complexity | 1040.7047 |
Chemical Identifiers
| CAS Number | 135446-07-0 |
|---|---|
| SMILES | CC1=NN=C2N1C(=O)N(C3=C2N(C=N3)C)CC4=CC=CC=C4 |
Product Overview
5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-(phenylmethyl)- (CAS 135446-07-0), with molecular formula C15H14N6O and molecular weight 294.12 g/mol. IUPAC: 6-benzyl-3,9-dimethyl-[1,2,4]triazolo[3,4-f]purin-5-one.
Chemical Property Profile of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-(phenylmethyl)-
Property Insights of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-(phenylmethyl)-
The XLogP value of 1.13442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-(phenylmethyl)-. The TPSA of 70.01 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-3,9-dimethyl-6-(phenylmethyl)-. Following Lipinski's Rule of Five, 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-(phenylmethyl)- 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 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-(phenylmethyl)-?
The CAS number of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-(phenylmethyl)- is 135446-07-0.
What is the molecular formula of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-(phenylmethyl)-?
The molecular formula of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-(phenylmethyl)- is C15H14N6O.
What is the molecular weight of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-(phenylmethyl)-?
The molecular weight of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-(phenylmethyl)- is 294.12 g/mol.
Where can I buy 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-(phenylmethyl)-?
You can request a quote for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,9-dimethyl-6-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.