ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate
TL;DR: ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 689750-66-1) is a chemical compound with molecular formula C23H26N4O6S and molecular weight 486.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-[(5-{[(2,4-dimethoxyphenyl)formamido]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl 2-[[5-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl {[5-{[(2,4-dimethoxybenzoyl)amino]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}acetate
| Molecular Formula | C23H26N4O6S |
|---|---|
| Molecular Weight | 486.16 g/mol |
| LogP | 2.8783 |
| Topological Polar Surface Area | 113.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 486.15732 |
| Heavy Atoms | 34 |
| Complexity | 1132.989 |
Chemical Identifiers
| CAS Number | 689750-66-1 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)CNC(=O)C3=C(C=C(C=C3)OC)OC |
Product Overview
ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 689750-66-1), with molecular formula C23H26N4O6S and molecular weight 486.16 g/mol. IUPAC: ethyl 2-[[5-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate
Property Insights of ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate
The XLogP value of 2.8783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate. The TPSA of 113.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate. Following Lipinski's Rule of Five, ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate has 1 hydrogen bond donor(s) and 9 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 ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
The CAS number of ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate is 689750-66-1.
What is the molecular formula of ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular formula of ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate is C23H26N4O6S.
What is the molecular weight of ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular weight of ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate is 486.16 g/mol.
Where can I buy ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
You can request a quote for ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.