RefChem:449515
TL;DR: RefChem:449515 (CAS 332947-79-2) is a chemical compound with molecular formula C25H23ClN4OS and molecular weight 462.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
Also Known As: BAS 02053416, 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide, 2-((5-(4-Chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,5-dimethylphenyl)acetamide, 2-((5-(4-Chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2,5-dimethylphenyl)acetamide, 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
| Molecular Formula | C25H23ClN4OS |
|---|---|
| Molecular Weight | 462.13 g/mol |
| LogP | 6.24376 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.1281 |
| Heavy Atoms | 32 |
| Complexity | 1250.1844 |
Chemical Identifiers
| CAS Number | 332947-79-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)C)C)C4=CC=C(C=C4)Cl |
Product Overview
RefChem:449515 (CAS 332947-79-2), with molecular formula C25H23ClN4OS and molecular weight 462.13 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide.
Chemical Property Profile of RefChem:449515
Property Insights of RefChem:449515
The XLogP value of 6.24376 indicates that RefChem:449515 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:449515 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:449515 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:449515?
The CAS number of RefChem:449515 is 332947-79-2.
What is the molecular formula of RefChem:449515?
The molecular formula of RefChem:449515 is C25H23ClN4OS.
What is the molecular weight of RefChem:449515?
The molecular weight of RefChem:449515 is 462.13 g/mol.
Where can I buy RefChem:449515?
You can request a quote for RefChem:449515 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449515?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449515 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.