![ethyl 2-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate structure](/static/products/6897/689750-27-4.webp)
ethyl 2-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
TL;DR: ethyl 2-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate (CAS 689750-27-4) is a chemical compound with molecular formula C21H30N4O6S and molecular weight 466.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-methyl-5-[[(3,4,5-triethoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ethyl 2-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl 2-[[4-methyl-5-[[(3,4,5-triethoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl 2-((4-methyl-5-((3,4,5-triethoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl [(4-methyl-5-{[(3,4,5-triethoxybenzoyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate, 2-[[4-methyl-5-[[(3,4,5-triethoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester
| Molecular Formula | C21H30N4O6S |
|---|---|
| Molecular Weight | 466.19 g/mol |
| LogP | 2.5964 |
| Topological Polar Surface Area | 113.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 466.1886 |
| Heavy Atoms | 32 |
| Complexity | 890.6851 |
Chemical Identifiers
| CAS Number | 689750-27-4 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=NN=C(N2C)SCC(=O)OCC |
Product Overview
ethyl 2-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate (CAS 689750-27-4), with molecular formula C21H30N4O6S and molecular weight 466.19 g/mol. IUPAC: ethyl 2-[[4-methyl-5-[[(3,4,5-triethoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl 2-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Property Insights of ethyl 2-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
The XLogP value of 2.5964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate. The TPSA of 113.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl 2-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]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-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The CAS number of ethyl 2-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is 689750-27-4.
What is the molecular formula of ethyl 2-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular formula of ethyl 2-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is C21H30N4O6S.
What is the molecular weight of ethyl 2-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular weight of ethyl 2-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is 466.19 g/mol.
Where can I buy ethyl 2-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
You can request a quote for ethyl 2-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]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-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(4-methyl-5-{[(3,4,5-triethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.