![4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid structure](/static/products/577/577700-45-9.png)
4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid
TL;DR: 4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid (CAS 577700-45-9) is a chemical compound with molecular formula C20H17N3O5S and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]phenoxy]methyl]benzoic acid
Also Known As: 4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid, (2Z)-3-{2-[(4-carboxybenzyl)oxy]phenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate, (Z)-4-((2-(2-carboxy-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)vinyl)phenoxy)methyl)benzoic acid, 4-[[2-[(Z)-3-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid, 4-[[2-[2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]phenoxy]methyl]benzoic Acid
| Molecular Formula | C20H17N3O5S |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | 3.60812 |
| Topological Polar Surface Area | 125.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.0889 |
| Heavy Atoms | 29 |
| Complexity | 1059.9884 |
Chemical Identifiers
| CAS Number | 577700-45-9 |
|---|---|
| SMILES | CC1=NC(=NN1)S/C(=C\C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)/C(=O)O |
Product Overview
4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid (CAS 577700-45-9), with molecular formula C20H17N3O5S and molecular weight 411.09 g/mol. IUPAC: 4-[[2-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of 4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid
Property Insights of 4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid
The XLogP value of 3.60812 indicates that 4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid has 3 hydrogen bond donor(s) and 6 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 4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid?
The CAS number of 4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid is 577700-45-9.
What is the molecular formula of 4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid?
The molecular formula of 4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid is C20H17N3O5S.
What is the molecular weight of 4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid?
The molecular weight of 4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid is 411.09 g/mol.
Where can I buy 4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid?
You can request a quote for 4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.