![ethyl 2-{2-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate structure](/static/products/5870/587014-29-7.webp)
ethyl 2-{2-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate
TL;DR: ethyl 2-{2-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate (CAS 587014-29-7) is a chemical compound with molecular formula C17H18N4O5S and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
Also Known As: ethyl 2-{2-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate, ethyl 2-(2-((5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate, ethyl 2-(2-{[5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate, ethyl 2-[[2-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate, ethyl N-({[5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
| Molecular Formula | C17H18N4O5S |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 390.0998 |
| Heavy Atoms | 27 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 587014-29-7 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC=CO3 |
| InChIKey | WBZMDMLWRBHWGK-UHFFFAOYSA-N |
Product Overview
ethyl 2-{2-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate (CAS 587014-29-7), with molecular formula C17H18N4O5S and molecular weight 390.10 g/mol. IUPAC: ethyl 2-[[2-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate.
Chemical Property Profile of ethyl 2-{2-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate
Property Insights of ethyl 2-{2-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-{2-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{2-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate. Following Lipinski's Rule of Five, ethyl 2-{2-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate has 1 hydrogen bond donor(s) and 8 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-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate?
The CAS number of ethyl 2-{2-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate is 587014-29-7.
What is the molecular formula of ethyl 2-{2-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate?
The molecular formula of ethyl 2-{2-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate is C17H18N4O5S.
What is the molecular weight of ethyl 2-{2-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate?
The molecular weight of ethyl 2-{2-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate is 390.10 g/mol.
Where can I buy ethyl 2-{2-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate?
You can request a quote for ethyl 2-{2-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate 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-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{2-[5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}a cetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.