![4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide structure](/static/products/849/849005-40-9.png)
4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide
TL;DR: 4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide (CAS 849005-40-9) is a chemical compound with molecular formula C22H18FN5O3S and molecular weight 451.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
Also Known As: 4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide, 4-(2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide, 4-(2-{[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide, 4-[({[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide, 4-[[2-[[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
| Molecular Formula | C22H18FN5O3S |
|---|---|
| Molecular Weight | 451.11 g/mol |
| LogP | 3.5552 |
| Topological Polar Surface Area | 116.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 451.11145 |
| Heavy Atoms | 32 |
| Complexity | 1238.957 |
Chemical Identifiers
| CAS Number | 849005-40-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC=C(C=C4)C(=O)N)F |
Product Overview
4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide (CAS 849005-40-9), with molecular formula C22H18FN5O3S and molecular weight 451.11 g/mol. IUPAC: 4-[[2-[[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide.
Chemical Property Profile of 4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide
Property Insights of 4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide
The XLogP value of 3.5552 indicates that 4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide. Following Lipinski's Rule of Five, 4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide has 2 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-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide?
The CAS number of 4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide is 849005-40-9.
What is the molecular formula of 4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide?
The molecular formula of 4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide is C22H18FN5O3S.
What is the molecular weight of 4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide?
The molecular weight of 4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide is 451.11 g/mol.
Where can I buy 4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide?
You can request a quote for 4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.