RefChem:449415
TL;DR: RefChem:449415 (CAS 539809-53-5) is a chemical compound with molecular formula C24H18F3N7OS and molecular weight 509.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide, 2-{[5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE, 2-((5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(2-(TRIFLUOROMETHYL)PHENYL)ACETAMIDE, 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide, 644-705-7
| Molecular Formula | C24H18F3N7OS |
|---|---|
| Molecular Weight | 509.12 g/mol |
| LogP | 4.8099 |
| Topological Polar Surface Area | 90.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.12457 |
| Heavy Atoms | 36 |
| Complexity | 1515.2335 |
Chemical Identifiers
| CAS Number | 539809-53-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(F)(F)F)CN4C5=CC=CC=C5N=N4 |
Product Overview
RefChem:449415 (CAS 539809-53-5), with molecular formula C24H18F3N7OS and molecular weight 509.12 g/mol. IUPAC: 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of RefChem:449415
Property Insights of RefChem:449415
The XLogP value of 4.8099 indicates that RefChem:449415 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.52 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449415. Following Lipinski's Rule of Five, RefChem:449415 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:449415?
The CAS number of RefChem:449415 is 539809-53-5.
What is the molecular formula of RefChem:449415?
The molecular formula of RefChem:449415 is C24H18F3N7OS.
What is the molecular weight of RefChem:449415?
The molecular weight of RefChem:449415 is 509.12 g/mol.
Where can I buy RefChem:449415?
You can request a quote for RefChem:449415 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449415?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449415 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.