![N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide structure](/static/products/847/847400-61-7.png)
N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
TL;DR: N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 847400-61-7) is a chemical compound with molecular formula C20H18FN5O2S2 and molecular weight 443.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[(4-fluorophenyl)methyl]-2-({4-methyl-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(4-fluorobenzyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-fluorobenzyl)-2-[[5-[(2-keto-1,3-benzothiazol-3-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide, N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide
| Molecular Formula | C20H18FN5O2S2 |
|---|---|
| Molecular Weight | 443.09 g/mol |
| LogP | 2.7874 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.0886 |
| Heavy Atoms | 30 |
| Complexity | 1246.3059 |
Chemical Identifiers
| CAS Number | 847400-61-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)F)CN3C4=CC=CC=C4SC3=O |
Product Overview
N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 847400-61-7), with molecular formula C20H18FN5O2S2 and molecular weight 443.09 g/mol. IUPAC: N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Property Insights of N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
The XLogP value of 2.7874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide. The TPSA of 81.81 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide. Following Lipinski's Rule of Five, N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide has 1 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 N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The CAS number of N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is 847400-61-7.
What is the molecular formula of N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular formula of N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is C20H18FN5O2S2.
What is the molecular weight of N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular weight of N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is 443.09 g/mol.
Where can I buy N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
You can request a quote for N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-fluorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.