![3-[5-[(4-Chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline structure](/static/products/7012/701229-80-3.webp)
3-[5-[(4-Chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline
TL;DR: 3-[5-[(4-Chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline (CAS 701229-80-3) is a chemical compound with molecular formula C21H17ClN4S and molecular weight 392.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline
Also Known As: 3-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline, 3-{5-[(4-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}aniline, 3-(5-{[(4-CHLOROPHENYL)METHYL]SULFANYL}-4-PHENYL-1,2,4-TRIAZOL-3-YL)ANILINE
| Molecular Formula | C21H17ClN4S |
|---|---|
| Molecular Weight | 392.09 g/mol |
| LogP | 5.4622 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.08624 |
| Heavy Atoms | 27 |
| Complexity | 1045.4869 |
Chemical Identifiers
| CAS Number | 701229-80-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Cl)C4=CC(=CC=C4)N |
Product Overview
3-[5-[(4-Chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline (CAS 701229-80-3), with molecular formula C21H17ClN4S and molecular weight 392.09 g/mol. IUPAC: 3-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline.
Chemical Property Profile of 3-[5-[(4-Chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline
Property Insights of 3-[5-[(4-Chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline
The XLogP value of 5.4622 indicates that 3-[5-[(4-Chlorophenyl)methylsulfanyl]-4-phenyl-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, 3-[5-[(4-Chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[5-[(4-Chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline has 1 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 3-[5-[(4-Chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline?
The CAS number of 3-[5-[(4-Chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline is 701229-80-3.
What is the molecular formula of 3-[5-[(4-Chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline?
The molecular formula of 3-[5-[(4-Chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline is C21H17ClN4S.
What is the molecular weight of 3-[5-[(4-Chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline?
The molecular weight of 3-[5-[(4-Chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline is 392.09 g/mol.
Where can I buy 3-[5-[(4-Chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline?
You can request a quote for 3-[5-[(4-Chlorophenyl)methylsulfanyl]-4-phenyl-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 3-[5-[(4-Chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-[(4-Chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.