RefChem:449601
TL;DR: RefChem:449601 (CAS 618441-41-1) is a chemical compound with molecular formula C24H22N4OS and molecular weight 414.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(anilinomethyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: 1-Phenyl-2-((5-((phenylamino)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 2-{[5-(ANILINOMETHYL)-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-PHENYLETHANONE, 2-[[5-(anilinomethyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone, 2-[[5-(anilinomethyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone, 2-((5-(ANILINOMETHYL)-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-1-PHENYLETHANONE
| Molecular Formula | C24H22N4OS |
|---|---|
| Molecular Weight | 414.15 g/mol |
| LogP | 5.16282 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.15143 |
| Heavy Atoms | 30 |
| Complexity | 1126.4282 |
Chemical Identifiers
| CAS Number | 618441-41-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CNC4=CC=CC=C4 |
Product Overview
RefChem:449601 (CAS 618441-41-1), with molecular formula C24H22N4OS and molecular weight 414.15 g/mol. IUPAC: 2-[[5-(anilinomethyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of RefChem:449601
Property Insights of RefChem:449601
The XLogP value of 5.16282 indicates that RefChem:449601 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, RefChem:449601 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:449601 has 1 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:449601?
The CAS number of RefChem:449601 is 618441-41-1.
What is the molecular formula of RefChem:449601?
The molecular formula of RefChem:449601 is C24H22N4OS.
What is the molecular weight of RefChem:449601?
The molecular weight of RefChem:449601 is 414.15 g/mol.
Where can I buy RefChem:449601?
You can request a quote for RefChem:449601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449601?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.