![ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate structure](/static/products/5794/579441-11-5.webp)
ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate
TL;DR: ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate (CAS 579441-11-5) is a chemical compound with molecular formula C16H19N5O3S and molecular weight 361.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate
Also Known As: ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate, ethyl 2-(2-((4-allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate, ethyl 2-(2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate, ethyl 2-[[2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate, ethyl N-({[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
| Molecular Formula | C16H19N5O3S |
|---|---|
| Molecular Weight | 361.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 361.12085 |
| Heavy Atoms | 25 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 579441-11-5 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=N2 |
| InChIKey | XNNMYVFGQBQEIP-UHFFFAOYSA-N |
Product Overview
ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate (CAS 579441-11-5), with molecular formula C16H19N5O3S and molecular weight 361.12 g/mol. IUPAC: ethyl 2-[[2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate.
Chemical Property Profile of ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate
Property Insights of ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate. Following Lipinski's Rule of Five, ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate has 1 hydrogen bond donor(s) and 7 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-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate?
The CAS number of ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate is 579441-11-5.
What is the molecular formula of ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate?
The molecular formula of ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate is C16H19N5O3S.
What is the molecular weight of ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate?
The molecular weight of ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate is 361.12 g/mol.
Where can I buy ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate?
You can request a quote for ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.