![{[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid structure](/static/products/7318/731827-00-2.webp)
{[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid
TL;DR: {[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid (CAS 731827-00-2) is a chemical compound with molecular formula C16H12FN3O2S and molecular weight 329.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: {[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid, 2-((5-(4-Fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid, 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic Acid, [[5-(4-FLUOROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]THIO]ACETIC ACID, 2-{[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
| Molecular Formula | C16H12FN3O2S |
|---|---|
| Molecular Weight | 329.06 g/mol |
| LogP | 3.2501 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.06342 |
| Heavy Atoms | 23 |
| Complexity | 819.10156 |
Chemical Identifiers
| CAS Number | 731827-00-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)C3=CC=C(C=C3)F |
Product Overview
{[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid (CAS 731827-00-2), with molecular formula C16H12FN3O2S and molecular weight 329.06 g/mol. IUPAC: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of {[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid
Property Insights of {[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid
The XLogP value of 3.2501 indicates that {[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for {[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid. Following Lipinski's Rule of Five, {[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid has 1 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 {[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid?
The CAS number of {[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid is 731827-00-2.
What is the molecular formula of {[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid?
The molecular formula of {[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid is C16H12FN3O2S.
What is the molecular weight of {[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid?
The molecular weight of {[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid is 329.06 g/mol.
Where can I buy {[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid?
You can request a quote for {[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.