![2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide structure](/static/products/5587/5587-98-4.webp)
2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide
TL;DR: 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide (CAS 5587-98-4) is a chemical compound with molecular formula C25H23FN4OS and molecular weight 446.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide
Also Known As: 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide, 2-{[4-benzyl-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methyl-N-phenylpropanamide, 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide
| Molecular Formula | C25H23FN4OS |
|---|---|
| Molecular Weight | 446.16 g/mol |
| LogP | 5.2761 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.15765 |
| Heavy Atoms | 32 |
| Complexity | 1197.0646 |
Chemical Identifiers
| CAS Number | 5587-98-4 |
|---|---|
| SMILES | CC(C(=O)N(C)C1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4F |
Product Overview
2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide (CAS 5587-98-4), with molecular formula C25H23FN4OS and molecular weight 446.16 g/mol. IUPAC: 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide.
Chemical Property Profile of 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide
Property Insights of 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide
The XLogP value of 5.2761 indicates that 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide?
The CAS number of 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide is 5587-98-4.
What is the molecular formula of 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide?
The molecular formula of 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide is C25H23FN4OS.
What is the molecular weight of 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide?
The molecular weight of 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide is 446.16 g/mol.
Where can I buy 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide?
You can request a quote for 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.