![2-{[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid structure](/static/products/7466/746607-41-0.webp)
2-{[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
TL;DR: 2-{[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 746607-41-0) is a chemical compound with molecular formula C19H18FN3O5S and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-{[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, AB00724166-01, 2-[[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic Acid, {[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}acetic acid, 2-((4-(2-FLUOROPHENYL)-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETIC ACID
| Molecular Formula | C19H18FN3O5S |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 3.2759 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.09512 |
| Heavy Atoms | 29 |
| Complexity | 1015.42926 |
Chemical Identifiers
| CAS Number | 746607-41-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC=CC=C3F)SCC(=O)O |
Product Overview
2-{[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 746607-41-0), with molecular formula C19H18FN3O5S and molecular weight 419.10 g/mol. IUPAC: 2-[[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-{[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Property Insights of 2-{[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
The XLogP value of 3.2759 indicates that 2-{[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid has 1 hydrogen bond donor(s) and 7 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-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The CAS number of 2-{[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is 746607-41-0.
What is the molecular formula of 2-{[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The molecular formula of 2-{[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is C19H18FN3O5S.
What is the molecular weight of 2-{[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The molecular weight of 2-{[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is 419.10 g/mol.
Where can I buy 2-{[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
You can request a quote for 2-{[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.