5,7-Dimethyl-2-phenyl-S-triazolo(1,5-a)pyrimidine
TL;DR: 5,7-Dimethyl-2-phenyl-S-triazolo(1,5-a)pyrimidine (CAS 107518-46-7) is a chemical compound with molecular formula C13H12N4 and molecular weight 224.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: 5,7-Dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine, BAS 00560696, 5,7-dimethyl-2-phenyl-s-triazolo(1,5-a)pyrimidine, 5,7-Dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidine, 1,2,4-Triazolo[1,5-a]pyrimidine, 5,7-dimethyl-2-phenyl-
| Molecular Formula | C13H12N4 |
|---|---|
| Molecular Weight | 224.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.1062 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 107518-46-7 |
|---|---|
| SMILES | CC1=CC(=NC2=NC(=NN12)C3=CC=CC=C3)C |
| InChIKey | VTJALUNHFVAURK-UHFFFAOYSA-N |
Product Overview
5,7-Dimethyl-2-phenyl-S-triazolo(1,5-a)pyrimidine (CAS 107518-46-7), with molecular formula C13H12N4 and molecular weight 224.11 g/mol. IUPAC: 5,7-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of 5,7-Dimethyl-2-phenyl-S-triazolo(1,5-a)pyrimidine
Property Insights of 5,7-Dimethyl-2-phenyl-S-triazolo(1,5-a)pyrimidine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Dimethyl-2-phenyl-S-triazolo(1,5-a)pyrimidine. With a topological polar surface area (TPSA) of 43.1 Ų, 5,7-Dimethyl-2-phenyl-S-triazolo(1,5-a)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Dimethyl-2-phenyl-S-triazolo(1,5-a)pyrimidine has 0 hydrogen bond donor(s) and 3 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 5,7-Dimethyl-2-phenyl-S-triazolo(1,5-a)pyrimidine?
The CAS number of 5,7-Dimethyl-2-phenyl-S-triazolo(1,5-a)pyrimidine is 107518-46-7.
What is the molecular formula of 5,7-Dimethyl-2-phenyl-S-triazolo(1,5-a)pyrimidine?
The molecular formula of 5,7-Dimethyl-2-phenyl-S-triazolo(1,5-a)pyrimidine is C13H12N4.
What is the molecular weight of 5,7-Dimethyl-2-phenyl-S-triazolo(1,5-a)pyrimidine?
The molecular weight of 5,7-Dimethyl-2-phenyl-S-triazolo(1,5-a)pyrimidine is 224.11 g/mol.
Where can I buy 5,7-Dimethyl-2-phenyl-S-triazolo(1,5-a)pyrimidine?
You can request a quote for 5,7-Dimethyl-2-phenyl-S-triazolo(1,5-a)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dimethyl-2-phenyl-S-triazolo(1,5-a)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dimethyl-2-phenyl-S-triazolo(1,5-a)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.