![6-Benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one structure](/static/products/893/893918-45-1.png)
6-Benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one
TL;DR: 6-Benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one (CAS 893918-45-1) is a chemical compound with molecular formula C19H17N5O and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one
Also Known As: 6-benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one, F1876-0902, 6-benzyl-3-(3,4-dimethylphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, 6-benzyl-3-(3,4-dimethylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
| Molecular Formula | C19H17N5O |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 2.64234 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.1433 |
| Heavy Atoms | 25 |
| Complexity | 1111.825 |
Chemical Identifiers
| CAS Number | 893918-45-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C=N3)CC4=CC=CC=C4)N=N2)C |
Product Overview
6-Benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one (CAS 893918-45-1), with molecular formula C19H17N5O and molecular weight 331.14 g/mol. IUPAC: 6-benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 6-Benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one
Property Insights of 6-Benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one
The XLogP value of 2.64234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one. Following Lipinski's Rule of Five, 6-Benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one 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 6-Benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one?
The CAS number of 6-Benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one is 893918-45-1.
What is the molecular formula of 6-Benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one?
The molecular formula of 6-Benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one is C19H17N5O.
What is the molecular weight of 6-Benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one?
The molecular weight of 6-Benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one is 331.14 g/mol.
Where can I buy 6-Benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one?
You can request a quote for 6-Benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.