![2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid structure](/static/products/879/879449-62-4.png)
2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid
TL;DR: 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid (CAS 879449-62-4) is a chemical compound with molecular formula C8H9N5O2S and molecular weight 239.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid
Also Known As: 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid, A3541/0150042, 2-(3-mercapto-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)propanoic acid, 2-[3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]propanoic acid, 2-[3-Mercapto-5-(2H-pyrazol-3-yl)-[1,2,4]triazol-4-yl]-propionic acid
| Molecular Formula | C8H9N5O2S |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 0.97639 |
| Topological Polar Surface Area | 99.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.0477 |
| Heavy Atoms | 16 |
| Complexity | 555.2457 |
Chemical Identifiers
| CAS Number | 879449-62-4 |
|---|---|
| SMILES | CC(C(=O)O)N1C(=NNC1=S)C2=CC=NN2 |
Product Overview
2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid (CAS 879449-62-4), with molecular formula C8H9N5O2S and molecular weight 239.05 g/mol. IUPAC: 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid.
Chemical Property Profile of 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid
Property Insights of 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid
The XLogP value of 0.97639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid. The TPSA of 99.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid. Following Lipinski's Rule of Five, 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid has 3 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-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid?
The CAS number of 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid is 879449-62-4.
What is the molecular formula of 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid?
The molecular formula of 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid is C8H9N5O2S.
What is the molecular weight of 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid?
The molecular weight of 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid is 239.05 g/mol.
Where can I buy 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid?
You can request a quote for 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-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 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.