![3-[5-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole structure](/static/products/946/946236-08-4.png)
3-[5-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole
TL;DR: 3-[5-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole (CAS 946236-08-4) is a chemical compound with molecular formula C20H19FN4S and molecular weight 366.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]-1H-indole
Also Known As: 3-[5-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole, 3-(5-(butylthio)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)-1H-indole, F0653-0765, 3-[3-butylsulfanyl-4-(4-fluorophenyl)-1H-1,2,4-triazol-5-ylidene]indole, 3-[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]-1H-indole
| Molecular Formula | C20H19FN4S |
|---|---|
| Molecular Weight | 366.13 g/mol |
| LogP | 5.4469 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.13144 |
| Heavy Atoms | 26 |
| Complexity | 1019.91187 |
Chemical Identifiers
| CAS Number | 946236-08-4 |
|---|---|
| SMILES | CCCCSC1=NN=C(N1C2=CC=C(C=C2)F)C3=CNC4=CC=CC=C43 |
Product Overview
3-[5-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole (CAS 946236-08-4), with molecular formula C20H19FN4S and molecular weight 366.13 g/mol. IUPAC: 3-[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]-1H-indole.
Chemical Property Profile of 3-[5-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole
Property Insights of 3-[5-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole
The XLogP value of 5.4469 indicates that 3-[5-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-[5-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[5-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole has 1 hydrogen bond donor(s) and 3 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-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole?
The CAS number of 3-[5-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole is 946236-08-4.
What is the molecular formula of 3-[5-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole?
The molecular formula of 3-[5-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole is C20H19FN4S.
What is the molecular weight of 3-[5-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole?
The molecular weight of 3-[5-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole is 366.13 g/mol.
Where can I buy 3-[5-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole?
You can request a quote for 3-[5-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(butylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.