![3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid structure](/static/products/7929/792941-61-8.webp)
3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid
TL;DR: 3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid (CAS 792941-61-8) is a chemical compound with molecular formula C25H24N4O4S and molecular weight 476.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[[4-ethyl-5-[(1-methylnaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: 3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid, 3-(2-((4-ethyl-5-(((1-methylnaphthalen-2-yl)oxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid, 3-[[2-[[4-ethyl-5-[(1-methylnaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
| Molecular Formula | C25H24N4O4S |
|---|---|
| Molecular Weight | 476.15 g/mol |
| LogP | 4.76762 |
| Topological Polar Surface Area | 106.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.15182 |
| Heavy Atoms | 34 |
| Complexity | 1352.0107 |
Chemical Identifiers
| CAS Number | 792941-61-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)COC3=C(C4=CC=CC=C4C=C3)C |
Product Overview
3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid (CAS 792941-61-8), with molecular formula C25H24N4O4S and molecular weight 476.15 g/mol. IUPAC: 3-[[2-[[4-ethyl-5-[(1-methylnaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid
Property Insights of 3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid
The XLogP value of 4.76762 indicates that 3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-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 106.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid. Following Lipinski's Rule of Five, 3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid has 2 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 3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid?
The CAS number of 3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid is 792941-61-8.
What is the molecular formula of 3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid?
The molecular formula of 3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid is C25H24N4O4S.
What is the molecular weight of 3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid?
The molecular weight of 3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid is 476.15 g/mol.
Where can I buy 3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid?
You can request a quote for 3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-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 3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(4-ethyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-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.