![2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide structure](/static/products/7929/792941-96-9.webp)
2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide
TL;DR: 2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide (CAS 792941-96-9) is a chemical compound with molecular formula C25H29N5O3S and molecular weight 479.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide
Also Known As: 2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide, 2-[5-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide
| Molecular Formula | C25H29N5O3S |
|---|---|
| Molecular Weight | 479.20 g/mol |
| LogP | 4.39164 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 479.1991 |
| Heavy Atoms | 34 |
| Complexity | 1157.8579 |
Chemical Identifiers
| CAS Number | 792941-96-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC(=C3C)C |
Product Overview
2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide (CAS 792941-96-9), with molecular formula C25H29N5O3S and molecular weight 479.20 g/mol. IUPAC: 2-[5-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide.
Chemical Property Profile of 2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide
Property Insights of 2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide
The XLogP value of 4.39164 indicates that 2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide 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 2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide?
The CAS number of 2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide is 792941-96-9.
What is the molecular formula of 2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide?
The molecular formula of 2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide is C25H29N5O3S.
What is the molecular weight of 2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide?
The molecular weight of 2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide is 479.20 g/mol.
Where can I buy 2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide?
You can request a quote for 2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.