![N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/840/840512-89-2.png)
N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 840512-89-2) is a chemical compound with molecular formula C19H19FN6O3S and molecular weight 430.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-acetamido-2-methoxyphenyl)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(5-acetamido-2-methoxyphenyl)-2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(5-acetamido-2-methoxyphenyl)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C19H19FN6O3S |
|---|---|
| Molecular Weight | 430.12 g/mol |
| LogP | 2.4958 |
| Topological Polar Surface Area | 124.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.12234 |
| Heavy Atoms | 30 |
| Complexity | 1087.8817 |
Chemical Identifiers
| CAS Number | 840512-89-2 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3F |
Product Overview
N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 840512-89-2), with molecular formula C19H19FN6O3S and molecular weight 430.12 g/mol. IUPAC: N-(5-acetamido-2-methoxyphenyl)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 2.4958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. The TPSA of 124.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 3 hydrogen bond donor(s) and 7 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-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 840512-89-2.
What is the molecular formula of N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C19H19FN6O3S.
What is the molecular weight of N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 430.12 g/mol.
Where can I buy N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-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-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.