![2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetic acid structure](/static/products/879/879452-98-9.png)
2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetic acid
TL;DR: 2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetic acid (CAS 879452-98-9) is a chemical compound with molecular formula C13H12N6O2S and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetic acid, {[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid, 2-[[4-amino-5-(5-phenyl-2H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic Acid
| Molecular Formula | C13H12N6O2S |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 1.2257 |
| Topological Polar Surface Area | 122.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.07425 |
| Heavy Atoms | 22 |
| Complexity | 797.9805 |
Chemical Identifiers
| CAS Number | 879452-98-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)O |
Product Overview
2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetic acid (CAS 879452-98-9), with molecular formula C13H12N6O2S and molecular weight 316.07 g/mol. IUPAC: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetic acid
Property Insights of 2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetic acid
The XLogP value of 1.2257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetic acid. The TPSA of 122.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetic acid. Following Lipinski's Rule of Five, 2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetic acid has 3 hydrogen bond donor(s) and 6 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-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetic acid?
The CAS number of 2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetic acid is 879452-98-9.
What is the molecular formula of 2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetic acid?
The molecular formula of 2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetic acid is C13H12N6O2S.
What is the molecular weight of 2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetic acid?
The molecular weight of 2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetic acid is 316.07 g/mol.
Where can I buy 2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetic acid?
You can request a quote for 2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]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-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.