![ethyl 4-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate structure](/static/products/3104/310449-41-3.webp)
ethyl 4-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
TL;DR: ethyl 4-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate (CAS 310449-41-3) is a chemical compound with molecular formula C26H25N5O5S2 and molecular weight 551.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[4-(2-methoxyphenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, F0721-1040, ethyl 4-(2-((4-(2-methoxyphenyl)-5-((thiophene-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-[[2-[[4-(2-methoxyphenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C26H25N5O5S2 |
|---|---|
| Molecular Weight | 551.13 g/mol |
| LogP | 4.1749 |
| Topological Polar Surface Area | 124.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 551.1297 |
| Heavy Atoms | 38 |
| Complexity | 1403.922 |
Chemical Identifiers
| CAS Number | 310449-41-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3OC)CNC(=O)C4=CC=CS4 |
Product Overview
ethyl 4-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate (CAS 310449-41-3), with molecular formula C26H25N5O5S2 and molecular weight 551.13 g/mol. IUPAC: ethyl 4-[[2-[[4-(2-methoxyphenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Property Insights of ethyl 4-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
The XLogP value of 4.1749 indicates that ethyl 4-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)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-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)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-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
The CAS number of ethyl 4-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate is 310449-41-3.
What is the molecular formula of ethyl 4-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
The molecular formula of ethyl 4-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate is C26H25N5O5S2.
What is the molecular weight of ethyl 4-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
The molecular weight of ethyl 4-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate is 551.13 g/mol.
Where can I buy ethyl 4-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
You can request a quote for ethyl 4-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)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-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-{[4-(2-methoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.