![2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide structure](/static/products/780/780787-94-2.png)
2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide
TL;DR: 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide (CAS 780787-94-2) is a chemical compound with molecular formula C31H28N6O2S and molecular weight 548.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide
Also Known As: 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide, 2-((4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(9-ethyl-9H-carbazol-3-yl)acetamide, 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide, 2-[4-(4-ethoxyphenyl)-5-(3-pyridyl)(1,2,4-triazol-3-ylthio)]-N-(9-ethylcarbazo l-3-yl)acetamide, 2-{[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide
| Molecular Formula | C31H28N6O2S |
|---|---|
| Molecular Weight | 548.20 g/mol |
| LogP | 6.5866 |
| Topological Polar Surface Area | 86.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 548.19946 |
| Heavy Atoms | 40 |
| Complexity | 1794.4059 |
Chemical Identifiers
| CAS Number | 780787-94-2 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)OCC)C5=CN=CC=C5)C6=CC=CC=C61 |
Product Overview
2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide (CAS 780787-94-2), with molecular formula C31H28N6O2S and molecular weight 548.20 g/mol. IUPAC: 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide.
Chemical Property Profile of 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide
Property Insights of 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide
The XLogP value of 6.5866 indicates that 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide. Following Lipinski's Rule of Five, 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide?
The CAS number of 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide is 780787-94-2.
What is the molecular formula of 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide?
The molecular formula of 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide is C31H28N6O2S.
What is the molecular weight of 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide?
The molecular weight of 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide is 548.20 g/mol.
Where can I buy 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide?
You can request a quote for 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.