![propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate structure](/static/products/7082/708253-04-7.webp)
propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
TL;DR: propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate (CAS 708253-04-7) 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.
propan-2-yl 3-[[2-[[4-ethyl-5-[2-(3-methoxyanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate, isopropyl 3-(2-((4-ethyl-5-(2-((3-methoxyphenyl)amino)-2-oxoethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, propan-2-yl 3-[[2-[[4-ethyl-5-[2-(3-methoxyanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C25H29N5O5S |
|---|---|
| Molecular Weight | 511.19 g/mol |
| LogP | 3.7838 |
| Topological Polar Surface Area | 124.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 511.18893 |
| Heavy Atoms | 36 |
| Complexity | 1227.054 |
Chemical Identifiers
| CAS Number | 708253-04-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C)CC(=O)NC3=CC(=CC=C3)OC |
Product Overview
propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate (CAS 708253-04-7), with molecular formula C25H29N5O5S and molecular weight 511.19 g/mol. IUPAC: propan-2-yl 3-[[2-[[4-ethyl-5-[2-(3-methoxyanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Property Insights of propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 3.7838 indicates that propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-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 propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-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 propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The CAS number of propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is 708253-04-7.
What is the molecular formula of propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is C25H29N5O5S.
What is the molecular weight of propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is 511.19 g/mol.
Where can I buy propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-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 propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-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.