RefChem:449604
TL;DR: RefChem:449604 (CAS 618441-42-2) is a chemical compound with molecular formula C23H19ClFN5OS and molecular weight 467.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(anilinomethyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
Also Known As: 2-{[5-(ANILINOMETHYL)-4-(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(4-FLUOROPHENYL)ACETAMIDE, 2-[[5-(anilinomethyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide, 2-((4-(4-Chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide, 2-((5-(Anilinomethyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(4-fluorophenyl)acetamide, 644-750-2
| Molecular Formula | C23H19ClFN5OS |
|---|---|
| Molecular Weight | 467.10 g/mol |
| LogP | 5.4027 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.0983 |
| Heavy Atoms | 32 |
| Complexity | 1183.5045 |
Chemical Identifiers
| CAS Number | 618441-42-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC=C(C=C4)F |
Product Overview
RefChem:449604 (CAS 618441-42-2), with molecular formula C23H19ClFN5OS and molecular weight 467.10 g/mol. IUPAC: 2-[[5-(anilinomethyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of RefChem:449604
Property Insights of RefChem:449604
The XLogP value of 5.4027 indicates that RefChem:449604 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449604. Following Lipinski's Rule of Five, RefChem:449604 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:449604?
The CAS number of RefChem:449604 is 618441-42-2.
What is the molecular formula of RefChem:449604?
The molecular formula of RefChem:449604 is C23H19ClFN5OS.
What is the molecular weight of RefChem:449604?
The molecular weight of RefChem:449604 is 467.10 g/mol.
Where can I buy RefChem:449604?
You can request a quote for RefChem:449604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449604?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.