3-Bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide
TL;DR: 3-Bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide (CAS 577765-94-7) is a chemical compound with molecular formula C16H15BrN4S and molecular weight 374.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(3-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
Also Known As: 4-{5-[(3-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}pyridine, 4-(5-((3-Bromobenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-yl)pyridine, 3-[(3-bromophenyl)methylthio]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole, 3-Bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide, 4-[5-[(3-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
| Molecular Formula | C16H15BrN4S |
|---|---|
| Molecular Weight | 374.02 g/mol |
| LogP | 4.4148 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.02008 |
| Heavy Atoms | 22 |
| Complexity | 757.84717 |
Chemical Identifiers
| CAS Number | 577765-94-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=NC=C3 |
Product Overview
3-Bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide (CAS 577765-94-7), with molecular formula C16H15BrN4S and molecular weight 374.02 g/mol. IUPAC: 4-[5-[(3-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-Bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide
Property Insights of 3-Bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide
The XLogP value of 4.4148 indicates that 3-Bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 3-Bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide?
The CAS number of 3-Bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide is 577765-94-7.
What is the molecular formula of 3-Bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide?
The molecular formula of 3-Bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide is C16H15BrN4S.
What is the molecular weight of 3-Bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide?
The molecular weight of 3-Bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide is 374.02 g/mol.
Where can I buy 3-Bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide?
You can request a quote for 3-Bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.