![ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate structure](/static/products/7082/708282-44-4.webp)
ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
TL;DR: ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate (CAS 708282-44-4) is a chemical compound with molecular formula C26H29N5O6S and molecular weight 539.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, ethyl 4-(2-((4-allyl-5-((3,4-dimethoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-[[2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C26H29N5O6S |
|---|---|
| Molecular Weight | 539.18 g/mol |
| LogP | 3.3188 |
| Topological Polar Surface Area | 133.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 539.18384 |
| Heavy Atoms | 38 |
| Complexity | 1291.7809 |
Chemical Identifiers
| CAS Number | 708282-44-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC(=C(C=C3)OC)OC |
Product Overview
ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate (CAS 708282-44-4), with molecular formula C26H29N5O6S and molecular weight 539.18 g/mol. IUPAC: ethyl 4-[[2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Property Insights of ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
The XLogP value of 3.3188 indicates that ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The CAS number of ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is 708282-44-4.
What is the molecular formula of ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The molecular formula of ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is C26H29N5O6S.
What is the molecular weight of ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The molecular weight of ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is 539.18 g/mol.
Where can I buy ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
You can request a quote for ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.