![2-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid structure](/static/products/863/863668-01-3.png)
2-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid
TL;DR: 2-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid (CAS 863668-01-3) is a chemical compound with molecular formula C9H10N4O2S and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,7-dimethyl-2-sulfanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
Also Known As: 2-{5,7-dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid, (2-mercapto-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid, 2-(5,7-dimethyl-2-sulfanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid, {5,7-dimethyl-2-sulfanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid, 2-(5,7-dimethyl-2-thioxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
| Molecular Formula | C9H10N4O2S |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 1.03083 |
| Topological Polar Surface Area | 83.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.05244 |
| Heavy Atoms | 16 |
| Complexity | 628.20605 |
Chemical Identifiers
| CAS Number | 863668-01-3 |
|---|---|
| SMILES | CC1=C(C(=NC2=NC(=S)NN12)C)CC(=O)O |
Product Overview
2-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid (CAS 863668-01-3), with molecular formula C9H10N4O2S and molecular weight 238.05 g/mol. IUPAC: 2-(5,7-dimethyl-2-sulfanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid.
Chemical Property Profile of 2-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid
Property Insights of 2-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid
The XLogP value of 1.03083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid. The TPSA of 83.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid. Following Lipinski's Rule of Five, 2-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid has 2 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 2-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid?
The CAS number of 2-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid is 863668-01-3.
What is the molecular formula of 2-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid?
The molecular formula of 2-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid is C9H10N4O2S.
What is the molecular weight of 2-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid?
The molecular weight of 2-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid is 238.05 g/mol.
Where can I buy 2-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid?
You can request a quote for 2-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.