Ethyl 2-(5-cyclopropyl-4-propyl-1,2,4-triazol-3-ylthio)acetate
TL;DR: Ethyl 2-(5-cyclopropyl-4-propyl-1,2,4-triazol-3-ylthio)acetate (CAS 888654-24-8) is a chemical compound with molecular formula C12H19N3O2S and molecular weight 269.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: ethyl 2-(5-cyclopropyl-4-propyl-1,2,4-triazol-3-ylthio)acetate, ethyl [(5-cyclopropyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl 2-((5-cyclopropyl-4-propyl-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetate, ETHYL 2-[(5-CYCLOPROPYL-4-PROPYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETATE
| Molecular Formula | C12H19N3O2S |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | 2.2207 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 269.1198 |
| Heavy Atoms | 18 |
| Complexity | 415.45508 |
Chemical Identifiers
| CAS Number | 888654-24-8 |
|---|---|
| SMILES | CCCN1C(=NN=C1SCC(=O)OCC)C2CC2 |
Product Overview
Ethyl 2-(5-cyclopropyl-4-propyl-1,2,4-triazol-3-ylthio)acetate (CAS 888654-24-8), with molecular formula C12H19N3O2S and molecular weight 269.12 g/mol. IUPAC: ethyl 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-(5-cyclopropyl-4-propyl-1,2,4-triazol-3-ylthio)acetate
Property Insights of Ethyl 2-(5-cyclopropyl-4-propyl-1,2,4-triazol-3-ylthio)acetate
The XLogP value of 2.2207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(5-cyclopropyl-4-propyl-1,2,4-triazol-3-ylthio)acetate. With a topological polar surface area (TPSA) of 57.01 Ų, Ethyl 2-(5-cyclopropyl-4-propyl-1,2,4-triazol-3-ylthio)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(5-cyclopropyl-4-propyl-1,2,4-triazol-3-ylthio)acetate has 0 hydrogen bond donor(s) and 5 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-(5-cyclopropyl-4-propyl-1,2,4-triazol-3-ylthio)acetate?
The CAS number of Ethyl 2-(5-cyclopropyl-4-propyl-1,2,4-triazol-3-ylthio)acetate is 888654-24-8.
What is the molecular formula of Ethyl 2-(5-cyclopropyl-4-propyl-1,2,4-triazol-3-ylthio)acetate?
The molecular formula of Ethyl 2-(5-cyclopropyl-4-propyl-1,2,4-triazol-3-ylthio)acetate is C12H19N3O2S.
What is the molecular weight of Ethyl 2-(5-cyclopropyl-4-propyl-1,2,4-triazol-3-ylthio)acetate?
The molecular weight of Ethyl 2-(5-cyclopropyl-4-propyl-1,2,4-triazol-3-ylthio)acetate is 269.12 g/mol.
Where can I buy Ethyl 2-(5-cyclopropyl-4-propyl-1,2,4-triazol-3-ylthio)acetate?
You can request a quote for Ethyl 2-(5-cyclopropyl-4-propyl-1,2,4-triazol-3-ylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(5-cyclopropyl-4-propyl-1,2,4-triazol-3-ylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(5-cyclopropyl-4-propyl-1,2,4-triazol-3-ylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.