![4-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid structure](/static/products/879/879026-13-8.png)
4-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid
TL;DR: 4-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid (CAS 879026-13-8) is a chemical compound with molecular formula C24H26N4O4S and molecular weight 466.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: 4-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid, 4-(2-((4-allyl-5-(3-(4-methoxyphenyl)propyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid, 4-[[2-[[5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
| Molecular Formula | C24H26N4O4S |
|---|---|
| Molecular Weight | 466.17 g/mol |
| LogP | 4.077 |
| Topological Polar Surface Area | 106.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 466.16748 |
| Heavy Atoms | 33 |
| Complexity | 1094.657 |
Chemical Identifiers
| CAS Number | 879026-13-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
4-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid (CAS 879026-13-8), with molecular formula C24H26N4O4S and molecular weight 466.17 g/mol. IUPAC: 4-[[2-[[5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 4-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid
Property Insights of 4-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid
The XLogP value of 4.077 indicates that 4-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-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 4-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-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 4-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid?
The CAS number of 4-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid is 879026-13-8.
What is the molecular formula of 4-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid?
The molecular formula of 4-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid is C24H26N4O4S.
What is the molecular weight of 4-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid?
The molecular weight of 4-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid is 466.17 g/mol.
Where can I buy 4-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid?
You can request a quote for 4-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-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-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[({5-[3-(4-methoxyphenyl)propyl]-4-(prop-2-en-1-yl)-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.