![2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid structure](/static/products/7276/727684-84-6.webp)
2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid
TL;DR: 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid (CAS 727684-84-6) is a chemical compound with molecular formula C15H12N4O2S and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid
Also Known As: BAS 10231251, A3795/0161136, 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid, [4-(3-Mercapto-5-pyridin-4-yl-[1,2,4]triazol-4-yl)-phenyl]-acetic acid, {4-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid
| Molecular Formula | C15H12N4O2S |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 2.61899 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.06808 |
| Heavy Atoms | 22 |
| Complexity | 853.2539 |
Chemical Identifiers
| CAS Number | 727684-84-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)O)N2C(=NNC2=S)C3=CC=NC=C3 |
Product Overview
2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid (CAS 727684-84-6), with molecular formula C15H12N4O2S and molecular weight 312.07 g/mol. IUPAC: 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid.
Chemical Property Profile of 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid
Property Insights of 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid
The XLogP value of 2.61899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid. Following Lipinski's Rule of Five, 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]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-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid?
The CAS number of 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid is 727684-84-6.
What is the molecular formula of 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid?
The molecular formula of 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid is C15H12N4O2S.
What is the molecular weight of 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid?
The molecular weight of 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid is 312.07 g/mol.
Where can I buy 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid?
You can request a quote for 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]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-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.