RefChem:448436
TL;DR: RefChem:448436 (CAS 538336-47-9) is a chemical compound with molecular formula C25H21F3N4OS and molecular weight 482.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-{[4-(2,5-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide, 2-((4-(2,5-Dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide, 2-((4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(2-(TRIFLUOROMETHYL)PHENYL)ACETAMIDE, 2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide, 645-136-7
| Molecular Formula | C25H21F3N4OS |
|---|---|
| Molecular Weight | 482.14 g/mol |
| LogP | 6.30074 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.13882 |
| Heavy Atoms | 34 |
| Complexity | 1319.4928 |
Chemical Identifiers
| CAS Number | 538336-47-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(F)(F)F)C4=CC=CC=C4 |
Product Overview
RefChem:448436 (CAS 538336-47-9), with molecular formula C25H21F3N4OS and molecular weight 482.14 g/mol. IUPAC: 2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of RefChem:448436
Property Insights of RefChem:448436
The XLogP value of 6.30074 indicates that RefChem:448436 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:448436 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:448436 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:448436?
The CAS number of RefChem:448436 is 538336-47-9.
What is the molecular formula of RefChem:448436?
The molecular formula of RefChem:448436 is C25H21F3N4OS.
What is the molecular weight of RefChem:448436?
The molecular weight of RefChem:448436 is 482.14 g/mol.
Where can I buy RefChem:448436?
You can request a quote for RefChem:448436 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448436?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448436 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.