![3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid structure](/static/products/852/852940-50-2.png)
3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
TL;DR: 3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid (CAS 852940-50-2) is a chemical compound with molecular formula C11H14N4O2S and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
Also Known As: 3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid, 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid, 3-[5,7-dimethyl-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid, 3-(5,7-Dimethyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid, 3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoicacid
| Molecular Formula | C11H14N4O2S |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 1.48024 |
| Topological Polar Surface Area | 80.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.08374 |
| Heavy Atoms | 18 |
| Complexity | 608.5993 |
Chemical Identifiers
| CAS Number | 852940-50-2 |
|---|---|
| SMILES | CC1=C(C(=NC2=NC(=NN12)SC)C)CCC(=O)O |
Product Overview
3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid (CAS 852940-50-2), with molecular formula C11H14N4O2S and molecular weight 266.08 g/mol. IUPAC: 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid.
Chemical Property Profile of 3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
Property Insights of 3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
The XLogP value of 1.48024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid. The TPSA of 80.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid has 1 hydrogen bond donor(s) and 5 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 3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The CAS number of 3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid is 852940-50-2.
What is the molecular formula of 3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The molecular formula of 3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid is C11H14N4O2S.
What is the molecular weight of 3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The molecular weight of 3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid is 266.08 g/mol.
Where can I buy 3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
You can request a quote for 3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.