2-((5-(2-Fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
TL;DR: 2-((5-(2-Fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 733031-05-5) is a chemical compound with molecular formula C16H11F2N3O2S and molecular weight 347.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-{[5-(2-fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, 2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic Acid, {[5-(2-fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio}acetic acid, 2-((5-(2-FLUOROPHENYL)-4-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETIC ACID, 2-[[5-(2-Fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid
| Molecular Formula | C16H11F2N3O2S |
|---|---|
| Molecular Weight | 347.05 g/mol |
| LogP | 3.3892 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.05402 |
| Heavy Atoms | 24 |
| Complexity | 881.28394 |
Chemical Identifiers
| CAS Number | 733031-05-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)O)F |
Product Overview
2-((5-(2-Fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 733031-05-5), with molecular formula C16H11F2N3O2S and molecular weight 347.05 g/mol. IUPAC: 2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-((5-(2-Fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
Property Insights of 2-((5-(2-Fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
The XLogP value of 3.3892 indicates that 2-((5-(2-Fluorophenyl)-4-(4-fluorophenyl)-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 2-((5-(2-Fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((5-(2-Fluorophenyl)-4-(4-fluorophenyl)-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 2-((5-(2-Fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The CAS number of 2-((5-(2-Fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is 733031-05-5.
What is the molecular formula of 2-((5-(2-Fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular formula of 2-((5-(2-Fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is C16H11F2N3O2S.
What is the molecular weight of 2-((5-(2-Fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular weight of 2-((5-(2-Fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is 347.05 g/mol.
Where can I buy 2-((5-(2-Fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
You can request a quote for 2-((5-(2-Fluorophenyl)-4-(4-fluorophenyl)-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 2-((5-(2-Fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(2-Fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.