![{[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate structure](/static/products/6704/6704-98-9.webp)
{[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
TL;DR: {[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS 6704-98-9) is a chemical compound with molecular formula C15H12N3O3S- and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: {[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C15H12N3O3S- |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 1.4284 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.05994 |
| Heavy Atoms | 22 |
| Complexity | 753.7029 |
Chemical Identifiers
| CAS Number | 6704-98-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)[O-])C3=CC=CO3 |
Product Overview
{[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS 6704-98-9), with molecular formula C15H12N3O3S- and molecular weight 314.06 g/mol. IUPAC: 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of {[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Property Insights of {[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
The XLogP value of 1.4284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for {[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, {[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate has 0 hydrogen bond donor(s) and 6 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 {[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The CAS number of {[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is 6704-98-9.
What is the molecular formula of {[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The molecular formula of {[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is C15H12N3O3S-.
What is the molecular weight of {[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The molecular weight of {[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is 314.06 g/mol.
Where can I buy {[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
You can request a quote for {[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for {[4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.