![4-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid structure](/static/products/6937/693799-52-9.webp)
4-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
TL;DR: 4-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid (CAS 693799-52-9) is a chemical compound with molecular formula C25H29N5O4S and molecular weight 495.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[4-ethyl-5-[2-methyl-1-[(3-methylbenzoyl)amino]propyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: 4-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid, 4-(2-((4-ethyl-5-(2-methyl-1-(3-methylbenzamido)propyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid, 4-[[2-[[4-ethyl-5-[2-methyl-1-[(3-methylbenzoyl)amino]propyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
| Molecular Formula | C25H29N5O4S |
|---|---|
| Molecular Weight | 495.19 g/mol |
| LogP | 4.16252 |
| Topological Polar Surface Area | 126.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 495.19403 |
| Heavy Atoms | 35 |
| Complexity | 1206.8212 |
Chemical Identifiers
| CAS Number | 693799-52-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)C(C(C)C)NC(=O)C3=CC=CC(=C3)C |
Product Overview
4-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid (CAS 693799-52-9), with molecular formula C25H29N5O4S and molecular weight 495.19 g/mol. IUPAC: 4-[[2-[[4-ethyl-5-[2-methyl-1-[(3-methylbenzoyl)amino]propyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 4-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Property Insights of 4-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
The XLogP value of 4.16252 indicates that 4-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-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 126.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]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-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid?
The CAS number of 4-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid is 693799-52-9.
What is the molecular formula of 4-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid?
The molecular formula of 4-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid is C25H29N5O4S.
What is the molecular weight of 4-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid?
The molecular weight of 4-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid is 495.19 g/mol.
Where can I buy 4-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid?
You can request a quote for 4-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-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 4-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[({[4-ethyl-5-(2-methyl-1-{[(3-methylphenyl)carbonyl]amino}propyl)-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.