![ethyl 4-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate structure](/static/products/7142/714203-61-9.webp)
ethyl 4-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
TL;DR: ethyl 4-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate (CAS 714203-61-9) is a chemical compound with molecular formula C25H29N5O5S and molecular weight 511.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[4-ethyl-5-[2-[(4-methoxybenzoyl)amino]ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, ethyl 4-(2-((4-ethyl-5-(2-(4-methoxybenzamido)ethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-[[2-[[4-ethyl-5-[2-[(4-methoxybenzoyl)amino]ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C25H29N5O5S |
|---|---|
| Molecular Weight | 511.19 g/mol |
| LogP | 3.1866 |
| Topological Polar Surface Area | 124.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 511.18893 |
| Heavy Atoms | 36 |
| Complexity | 1178.5555 |
Chemical Identifiers
| CAS Number | 714203-61-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)CCNC(=O)C3=CC=C(C=C3)OC |
Product Overview
ethyl 4-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate (CAS 714203-61-9), with molecular formula C25H29N5O5S and molecular weight 511.19 g/mol. IUPAC: ethyl 4-[[2-[[4-ethyl-5-[2-[(4-methoxybenzoyl)amino]ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Property Insights of ethyl 4-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
The XLogP value of 3.1866 indicates that ethyl 4-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-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 124.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate has 2 hydrogen bond donor(s) and 8 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-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The CAS number of ethyl 4-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is 714203-61-9.
What is the molecular formula of ethyl 4-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The molecular formula of ethyl 4-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is C25H29N5O5S.
What is the molecular weight of ethyl 4-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The molecular weight of ethyl 4-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is 511.19 g/mol.
Where can I buy ethyl 4-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
You can request a quote for ethyl 4-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-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-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[({[4-ethyl-5-(2-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-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.