![N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide structure](/static/products/7019/701941-23-3.webp)
N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide
TL;DR: N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide (CAS 701941-23-3) is a chemical compound with molecular formula C20H20FN5O2S and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide
Also Known As: N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide, N-[[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide, N-[(5-{[2-(benzylamino)-2-oxoethyl]thio}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide
| Molecular Formula | C20H20FN5O2S |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 2.2927 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.13217 |
| Heavy Atoms | 29 |
| Complexity | 993.54645 |
Chemical Identifiers
| CAS Number | 701941-23-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3F |
Product Overview
N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide (CAS 701941-23-3), with molecular formula C20H20FN5O2S and molecular weight 413.13 g/mol. IUPAC: N-[[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide.
Chemical Property Profile of N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide
Property Insights of N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide
The XLogP value of 2.2927 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide. Following Lipinski's Rule of Five, N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide has 2 hydrogen bond donor(s) and 5 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 N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide?
The CAS number of N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide is 701941-23-3.
What is the molecular formula of N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide?
The molecular formula of N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide is C20H20FN5O2S.
What is the molecular weight of N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide?
The molecular weight of N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide is 413.13 g/mol.
Where can I buy N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide?
You can request a quote for N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-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-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.