ethyl 2-(2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate
TL;DR: ethyl 2-(2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate (CAS 861634-63-1) is a chemical compound with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
Also Known As: ethyl 2-(2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate, ethyl N-({[4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate, ethyl 2-[[2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
| Molecular Formula | C19H20N4O4S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 400.1205 |
| Heavy Atoms | 28 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 861634-63-1 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC=CC=C3 |
| InChIKey | VJVYICBBZIOBCE-UHFFFAOYSA-N |
Product Overview
ethyl 2-(2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate (CAS 861634-63-1), with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol. IUPAC: ethyl 2-[[2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate.
Chemical Property Profile of ethyl 2-(2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate
Property Insights of ethyl 2-(2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate. Following Lipinski's Rule of Five, ethyl 2-(2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)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 ethyl 2-(2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
The CAS number of ethyl 2-(2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate is 861634-63-1.
What is the molecular formula of ethyl 2-(2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
The molecular formula of ethyl 2-(2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate is C19H20N4O4S.
What is the molecular weight of ethyl 2-(2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
The molecular weight of ethyl 2-(2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate is 400.12 g/mol.
Where can I buy ethyl 2-(2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
You can request a quote for ethyl 2-(2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)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-(2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.