![2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid structure](/static/products/5754/575469-97-5.webp)
2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid
TL;DR: 2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid (CAS 575469-97-5) is a chemical compound with molecular formula C17H13FN4O3S and molecular weight 372.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid
Also Known As: 2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid, [2-({[3-(4-Fluorophenyl)-5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl)phenoxy]acetic acid, 2-[2-[[[3-(4-Fluorophenyl)-1,5-dihydro-5-thioxo-4H-1,2,4-triazol-4-yl]imino]methyl]phenoxy]acetic acid
| Molecular Formula | C17H13FN4O3S |
|---|---|
| Molecular Weight | 372.07 g/mol |
| LogP | 3.09239 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.06924 |
| Heavy Atoms | 26 |
| Complexity | 1011.3475 |
Chemical Identifiers
| CAS Number | 575469-97-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NN2C(=NNC2=S)C3=CC=C(C=C3)F)OCC(=O)O |
Product Overview
2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid (CAS 575469-97-5), with molecular formula C17H13FN4O3S and molecular weight 372.07 g/mol. IUPAC: 2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid.
Chemical Property Profile of 2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid
Property Insights of 2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid
The XLogP value of 3.09239 indicates that 2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid. Following Lipinski's Rule of Five, 2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid has 2 hydrogen bond donor(s) and 5 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-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid?
The CAS number of 2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid is 575469-97-5.
What is the molecular formula of 2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid?
The molecular formula of 2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid is C17H13FN4O3S.
What is the molecular weight of 2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid?
The molecular weight of 2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid is 372.07 g/mol.
Where can I buy 2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid?
You can request a quote for 2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]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-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.