![4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid structure](/static/products/896/896070-33-0.png)
4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
TL;DR: 4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid (CAS 896070-33-0) is a chemical compound with molecular formula C22H18N4O4S2 and molecular weight 466.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: 4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid, 4-(2-((4-(4-methoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid, 4-[({[4-(4-methoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid, 4-[[2-[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid, 4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid
| Molecular Formula | C22H18N4O4S2 |
|---|---|
| Molecular Weight | 466.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 466.07693 |
| Heavy Atoms | 32 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 896070-33-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CS4 |
| InChIKey | QIKFFADORFWJDT-UHFFFAOYSA-N |
Product Overview
4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid (CAS 896070-33-0), with molecular formula C22H18N4O4S2 and molecular weight 466.08 g/mol. IUPAC: 4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
Property Insights of 4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
The XLogP value of 3.7 indicates that 4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.0 Ų indicates high polarity, suggesting 4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid has 2 hydrogen bond donor(s) and 8 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-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid?
The CAS number of 4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid is 896070-33-0.
What is the molecular formula of 4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid?
The molecular formula of 4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid is C22H18N4O4S2.
What is the molecular weight of 4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid?
The molecular weight of 4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid is 466.08 g/mol.
Where can I buy 4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid?
You can request a quote for 4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]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-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.