![2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide structure](/static/products/7673/767325-96-2.webp)
2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
TL;DR: 2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide (CAS 767325-96-2) is a chemical compound with molecular formula C20H19ClFN5O2S and molecular weight 447.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetamide
Also Known As: 2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide, N-(3-chloro-4-methylphenyl)-2-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetamide
| Molecular Formula | C20H19ClFN5O2S |
|---|---|
| Molecular Weight | 447.09 g/mol |
| LogP | 3.82802 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.0932 |
| Heavy Atoms | 30 |
| Complexity | 1088.8088 |
Chemical Identifiers
| CAS Number | 767325-96-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3F)Cl |
Product Overview
2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide (CAS 767325-96-2), with molecular formula C20H19ClFN5O2S and molecular weight 447.09 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetamide.
Chemical Property Profile of 2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
Property Insights of 2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
The XLogP value of 3.82802 indicates that 2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide 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 2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The CAS number of 2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide is 767325-96-2.
What is the molecular formula of 2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The molecular formula of 2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide is C20H19ClFN5O2S.
What is the molecular weight of 2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The molecular weight of 2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide is 447.09 g/mol.
Where can I buy 2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
You can request a quote for 2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.