Methylethyl 2-(4-amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)acetate
TL;DR: Methylethyl 2-(4-amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)acetate (CAS 575458-99-0) is a chemical compound with molecular formula C11H14N4O3S and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: methylethyl 2-(4-amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)acetate, isopropyl {[4-amino-5-(2-furyl)-4H-1,2,4-triazol-3-yl]thio}acetate, isopropyl 2-((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetate, propan-2-yl {[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, propan-2-yl 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C11H14N4O3S |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 1.2956 |
| Topological Polar Surface Area | 96.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.07867 |
| Heavy Atoms | 19 |
| Complexity | 550.2962 |
Chemical Identifiers
| CAS Number | 575458-99-0 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NN=C(N1N)C2=CC=CO2 |
Product Overview
Methylethyl 2-(4-amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)acetate (CAS 575458-99-0), with molecular formula C11H14N4O3S and molecular weight 282.08 g/mol. IUPAC: propan-2-yl 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Methylethyl 2-(4-amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)acetate
Property Insights of Methylethyl 2-(4-amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)acetate
The XLogP value of 1.2956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylethyl 2-(4-amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)acetate. The TPSA of 96.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylethyl 2-(4-amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)acetate. Following Lipinski's Rule of Five, Methylethyl 2-(4-amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)acetate 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 Methylethyl 2-(4-amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)acetate?
The CAS number of Methylethyl 2-(4-amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)acetate is 575458-99-0.
What is the molecular formula of Methylethyl 2-(4-amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)acetate?
The molecular formula of Methylethyl 2-(4-amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)acetate is C11H14N4O3S.
What is the molecular weight of Methylethyl 2-(4-amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)acetate?
The molecular weight of Methylethyl 2-(4-amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)acetate is 282.08 g/mol.
Where can I buy Methylethyl 2-(4-amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)acetate?
You can request a quote for Methylethyl 2-(4-amino-5-(2-furyl)-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 Methylethyl 2-(4-amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methylethyl 2-(4-amino-5-(2-furyl)-1,2,4-triazol-3-ylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.