![2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide structure](/static/products/5870/587014-54-8.webp)
2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide
TL;DR: 2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide (CAS 587014-54-8) is a chemical compound with molecular formula C21H19N5O3S and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
Also Known As: 2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide, 2-((4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide, 2-(4-amino-5-(2-furyl)(1,2,4-triazol-3-ylthio))-N-[4-(phenylmethoxy)phenyl]ace tamide, 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
| Molecular Formula | C21H19N5O3S |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 3.5617 |
| Topological Polar Surface Area | 108.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 421.12085 |
| Heavy Atoms | 30 |
| Complexity | 1095.6494 |
Chemical Identifiers
| CAS Number | 587014-54-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=CO4 |
Product Overview
2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide (CAS 587014-54-8), with molecular formula C21H19N5O3S and molecular weight 421.12 g/mol. IUPAC: 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide.
Chemical Property Profile of 2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide
Property Insights of 2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide
The XLogP value of 3.5617 indicates that 2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide. Following Lipinski's Rule of Five, 2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide has 2 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 2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide?
The CAS number of 2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide is 587014-54-8.
What is the molecular formula of 2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide?
The molecular formula of 2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide is C21H19N5O3S.
What is the molecular weight of 2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide?
The molecular weight of 2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide is 421.12 g/mol.
Where can I buy 2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide?
You can request a quote for 2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.