![3-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid structure](/static/products/847/847837-47-2.png)
3-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid
TL;DR: 3-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid (CAS 847837-47-2) is a chemical compound with molecular formula C10H12N4O2S and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5,7-dimethyl-2-sulfanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
Also Known As: 3-{5,7-dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid, 3-(2-mercapto-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid, 3-(5,7-dimethyl-2-sulfanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid, 3-(5,7-dimethyl-2-sulfanyl-8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)propano ic acid, 3-(5,7-dimethyl-2-sulfanyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
| Molecular Formula | C10H12N4O2S |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.42093 |
| Topological Polar Surface Area | 83.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.0681 |
| Heavy Atoms | 17 |
| Complexity | 643.5287 |
Chemical Identifiers
| CAS Number | 847837-47-2 |
|---|---|
| SMILES | CC1=C(C(=NC2=NC(=S)NN12)C)CCC(=O)O |
Product Overview
3-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid (CAS 847837-47-2), with molecular formula C10H12N4O2S and molecular weight 252.07 g/mol. IUPAC: 3-(5,7-dimethyl-2-sulfanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid.
Chemical Property Profile of 3-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid
Property Insights of 3-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid
The XLogP value of 1.42093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid. The TPSA of 83.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid. Following Lipinski's Rule of Five, 3-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic 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 3-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid?
The CAS number of 3-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid is 847837-47-2.
What is the molecular formula of 3-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid?
The molecular formula of 3-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid is C10H12N4O2S.
What is the molecular weight of 3-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid?
The molecular weight of 3-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid is 252.07 g/mol.
Where can I buy 3-{5,7-Dimethyl-2-sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid?
You can request a quote for 3-{5,7-Dimethyl-2-sulfanyl-[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-sulfanyl-[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-sulfanyl-[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.