![8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione structure](/static/products/867/867040-52-6.png)
8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
TL;DR: 8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione (CAS 867040-52-6) is a chemical compound with molecular formula C23H24FN3OS and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-ethyl-2-(4-fluorophenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-en-4-yl]-(4-methylphenyl)methanone
Also Known As: 8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione, [8-ethyl-2-(4-fluorophenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-en-4-yl]-(4-methylphenyl)methanone, [8-ethyl-2-(4-fluorophenyl)-3-thioxo-1,4,8-triazaspiro[4.5]dec-1-en-4-yl]-(p-tolyl)methanone
| Molecular Formula | C23H24FN3OS |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 4.21862 |
| Topological Polar Surface Area | 35.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.1624 |
| Heavy Atoms | 29 |
| Complexity | 960.6224 |
Chemical Identifiers
| CAS Number | 867040-52-6 |
|---|---|
| SMILES | CCN1CCC2(CC1)N=C(C(=S)N2C(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)F |
Product Overview
8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione (CAS 867040-52-6), with molecular formula C23H24FN3OS and molecular weight 409.16 g/mol. IUPAC: [8-ethyl-2-(4-fluorophenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-en-4-yl]-(4-methylphenyl)methanone.
Chemical Property Profile of 8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
Property Insights of 8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
The XLogP value of 4.21862 indicates that 8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.91 Ų, 8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione 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 8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione?
The CAS number of 8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione is 867040-52-6.
What is the molecular formula of 8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione?
The molecular formula of 8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione is C23H24FN3OS.
What is the molecular weight of 8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione?
The molecular weight of 8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione is 409.16 g/mol.
Where can I buy 8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione?
You can request a quote for 8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 8-ethyl-3-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.