4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL 4-bromobenzyl sulfide
TL;DR: 4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL 4-bromobenzyl sulfide (CAS 578760-93-7) is a chemical compound with molecular formula C17H15BrN4S and molecular weight 386.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine
Also Known As: 2-{4-allyl-5-[(4-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine, AF-399/42677156, 2-(4-Allyl-5-((4-bromobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, 2-[5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine, 4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL 4-BROMOBENZYL SULFIDE
| Molecular Formula | C17H15BrN4S |
|---|---|
| Molecular Weight | 386.02 g/mol |
| LogP | 4.5809 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.02008 |
| Heavy Atoms | 23 |
| Complexity | 784.11285 |
Chemical Identifiers
| CAS Number | 578760-93-7 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=CC=N3 |
Product Overview
4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL 4-bromobenzyl sulfide (CAS 578760-93-7), with molecular formula C17H15BrN4S and molecular weight 386.02 g/mol. IUPAC: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL 4-bromobenzyl sulfide
Property Insights of 4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL 4-bromobenzyl sulfide
The XLogP value of 4.5809 indicates that 4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL 4-bromobenzyl 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, 4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL 4-bromobenzyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL 4-bromobenzyl 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 4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL 4-bromobenzyl sulfide?
The CAS number of 4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL 4-bromobenzyl sulfide is 578760-93-7.
What is the molecular formula of 4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL 4-bromobenzyl sulfide?
The molecular formula of 4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL 4-bromobenzyl sulfide is C17H15BrN4S.
What is the molecular weight of 4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL 4-bromobenzyl sulfide?
The molecular weight of 4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL 4-bromobenzyl sulfide is 386.02 g/mol.
Where can I buy 4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL 4-bromobenzyl sulfide?
You can request a quote for 4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL 4-bromobenzyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL 4-bromobenzyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL 4-bromobenzyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.