![4-[5-[(4-Bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline structure](/static/products/6927/692775-44-3.webp)
4-[5-[(4-Bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline
TL;DR: 4-[5-[(4-Bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline (CAS 692775-44-3) is a chemical compound with molecular formula C17H17BrN4S and molecular weight 388.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline
Also Known As: 4-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline, 4-{5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}aniline, 4-(5-{[(4-BROMOPHENYL)METHYL]SULFANYL}-4-ETHYL-1,2,4-TRIAZOL-3-YL)ANILINE
| Molecular Formula | C17H17BrN4S |
|---|---|
| Molecular Weight | 388.04 g/mol |
| LogP | 4.602 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.03574 |
| Heavy Atoms | 23 |
| Complexity | 781.358 |
Chemical Identifiers
| CAS Number | 692775-44-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=C(C=C3)N |
Product Overview
4-[5-[(4-Bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline (CAS 692775-44-3), with molecular formula C17H17BrN4S and molecular weight 388.04 g/mol. IUPAC: 4-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline.
Chemical Property Profile of 4-[5-[(4-Bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline
Property Insights of 4-[5-[(4-Bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline
The XLogP value of 4.602 indicates that 4-[5-[(4-Bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.73 Ų, 4-[5-[(4-Bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[5-[(4-Bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline has 1 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-[5-[(4-Bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline?
The CAS number of 4-[5-[(4-Bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline is 692775-44-3.
What is the molecular formula of 4-[5-[(4-Bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline?
The molecular formula of 4-[5-[(4-Bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline is C17H17BrN4S.
What is the molecular weight of 4-[5-[(4-Bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline?
The molecular weight of 4-[5-[(4-Bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline is 388.04 g/mol.
Where can I buy 4-[5-[(4-Bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline?
You can request a quote for 4-[5-[(4-Bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[5-[(4-Bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-[5-[(4-Bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.