RefChem:449210
TL;DR: RefChem:449210 (CAS 586997-12-8) is a chemical compound with molecular formula C18H18FN5OS and molecular weight 371.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
Also Known As: 2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide, 2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide, 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide, 2-{[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide, 2-(4-ethyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(3-fluoro-4-methylphenyl)a cetamide
| Molecular Formula | C18H18FN5OS |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | 3.53832 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.1216 |
| Heavy Atoms | 26 |
| Complexity | 913.1998 |
Chemical Identifiers
| CAS Number | 586997-12-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)F)C3=CC=NC=C3 |
Product Overview
RefChem:449210 (CAS 586997-12-8), with molecular formula C18H18FN5OS and molecular weight 371.12 g/mol. IUPAC: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide.
Chemical Property Profile of RefChem:449210
Property Insights of RefChem:449210
The XLogP value of 3.53832 indicates that RefChem:449210 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449210. Following Lipinski's Rule of Five, RefChem:449210 has 1 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 RefChem:449210?
The CAS number of RefChem:449210 is 586997-12-8.
What is the molecular formula of RefChem:449210?
The molecular formula of RefChem:449210 is C18H18FN5OS.
What is the molecular weight of RefChem:449210?
The molecular weight of RefChem:449210 is 371.12 g/mol.
Where can I buy RefChem:449210?
You can request a quote for RefChem:449210 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449210?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449210 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.