![N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide structure](/static/products/4284/428449-13-2.webp)
N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide
TL;DR: N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide (CAS 428449-13-2) is a chemical compound with molecular formula C23H19FN4OS and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide
Also Known As: AB00106925-01, AN-648/15241811, N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide, N-{3-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-2-fluorobenzamide
| Molecular Formula | C23H19FN4OS |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | 5.1658 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.12637 |
| Heavy Atoms | 30 |
| Complexity | 1176.8088 |
Chemical Identifiers
| CAS Number | 428449-13-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=CC=C2)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4F |
Product Overview
N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide (CAS 428449-13-2), with molecular formula C23H19FN4OS and molecular weight 418.13 g/mol. IUPAC: N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide.
Chemical Property Profile of N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide
Property Insights of N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide
The XLogP value of 5.1658 indicates that N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide has 1 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 N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide?
The CAS number of N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide is 428449-13-2.
What is the molecular formula of N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide?
The molecular formula of N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide is C23H19FN4OS.
What is the molecular weight of N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide?
The molecular weight of N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide is 418.13 g/mol.
Where can I buy N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide?
You can request a quote for N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.