![4-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine structure](/static/products/6729/672950-66-2.webp)
4-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine
TL;DR: 4-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine (CAS 672950-66-2) is a chemical compound with molecular formula C23H27FN4O3S2 and molecular weight 490.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-(4-methoxyphenyl)sulfonylpiperidine
Also Known As: 4-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine, 4-(4-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-1-(4-methoxybenzenesulfonyl)piperidine, 4-[4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-(4-methoxyphenyl)sulfonylpiperidine
| Molecular Formula | C23H27FN4O3S2 |
|---|---|
| Molecular Weight | 490.15 g/mol |
| LogP | 4.3063 |
| Topological Polar Surface Area | 77.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.15085 |
| Heavy Atoms | 33 |
| Complexity | 1173.4205 |
Chemical Identifiers
| CAS Number | 672950-66-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)F)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC |
Product Overview
4-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine (CAS 672950-66-2), with molecular formula C23H27FN4O3S2 and molecular weight 490.15 g/mol. IUPAC: 4-[4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-(4-methoxyphenyl)sulfonylpiperidine.
Chemical Property Profile of 4-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine
Property Insights of 4-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine
The XLogP value of 4.3063 indicates that 4-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine. Following Lipinski's Rule of Five, 4-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine has 0 hydrogen bond donor(s) and 6 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-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine?
The CAS number of 4-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine is 672950-66-2.
What is the molecular formula of 4-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine?
The molecular formula of 4-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine is C23H27FN4O3S2.
What is the molecular weight of 4-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine?
The molecular weight of 4-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine is 490.15 g/mol.
Where can I buy 4-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine?
You can request a quote for 4-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine?
Yes, KEHONG BIO provides custom synthesis services for 4-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.