RefChem:513601
TL;DR: RefChem:513601 (CAS 477332-92-6) is a chemical compound with molecular formula C21H14BrF3N4S and molecular weight 490.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-bromophenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: AB01325748-02, 4-[4-(4-bromophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine, 4-(4-(4-bromophenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, F3285-0888, 4-(4-(4-bromophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine
| Molecular Formula | C21H14BrF3N4S |
|---|---|
| Molecular Weight | 490.01 g/mol |
| LogP | 6.4029 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.00745 |
| Heavy Atoms | 30 |
| Complexity | 1145.1377 |
Chemical Identifiers
| CAS Number | 477332-92-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4 |
Product Overview
RefChem:513601 (CAS 477332-92-6), with molecular formula C21H14BrF3N4S and molecular weight 490.01 g/mol. IUPAC: 4-[4-(4-bromophenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of RefChem:513601
Property Insights of RefChem:513601
The XLogP value of 6.4029 indicates that RefChem:513601 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, RefChem:513601 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:513601 has 0 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:513601?
The CAS number of RefChem:513601 is 477332-92-6.
What is the molecular formula of RefChem:513601?
The molecular formula of RefChem:513601 is C21H14BrF3N4S.
What is the molecular weight of RefChem:513601?
The molecular weight of RefChem:513601 is 490.01 g/mol.
Where can I buy RefChem:513601?
You can request a quote for RefChem:513601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:513601?
Yes, KEHONG BIO provides custom synthesis services for RefChem:513601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.