![1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione structure](/static/products/867/867040-53-7.png)
1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
TL;DR: 1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione (CAS 867040-53-7) is a chemical compound with molecular formula C26H30FN3OS and molecular weight 451.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl)-[8-ethyl-2-(4-fluorophenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-en-4-yl]methanone
Also Known As: 1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione, (4-tert-butylphenyl)-[8-ethyl-2-(4-fluorophenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-en-4-yl]methanone, (4-(tert-butyl)phenyl)(8-ethyl-3-(4-fluorophenyl)-2-thioxo-1,4,8-triazaspiro[4.5]dec-3-en-1-yl)methanone
| Molecular Formula | C26H30FN3OS |
|---|---|
| Molecular Weight | 451.21 g/mol |
| LogP | 5.2077 |
| Topological Polar Surface Area | 35.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.20935 |
| Heavy Atoms | 32 |
| Complexity | 1045.9747 |
Chemical Identifiers
| CAS Number | 867040-53-7 |
|---|---|
| SMILES | CCN1CCC2(CC1)N=C(C(=S)N2C(=O)C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)F |
Product Overview
1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione (CAS 867040-53-7), with molecular formula C26H30FN3OS and molecular weight 451.21 g/mol. IUPAC: (4-tert-butylphenyl)-[8-ethyl-2-(4-fluorophenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-en-4-yl]methanone.
Chemical Property Profile of 1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
Property Insights of 1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
The XLogP value of 5.2077 indicates that 1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-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, 1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-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, 1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione has 0 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 1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione?
The CAS number of 1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione is 867040-53-7.
What is the molecular formula of 1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione?
The molecular formula of 1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione is C26H30FN3OS.
What is the molecular weight of 1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione?
The molecular weight of 1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione is 451.21 g/mol.
Where can I buy 1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione?
You can request a quote for 1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-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 1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-tert-butylbenzoyl)-8-ethyl-3-(4-fluorophenyl)-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.