![1-(2-Chlorobenzoyl)-8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione structure](/static/products/866/866866-48-0.png)
1-(2-Chlorobenzoyl)-8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
TL;DR: 1-(2-Chlorobenzoyl)-8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione (CAS 866866-48-0) is a chemical compound with molecular formula C22H22ClN3OS and molecular weight 411.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)-(8-ethyl-2-phenyl-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-en-4-yl)methanone
Also Known As: 1-(2-chlorobenzoyl)-8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione, F1607-0058, (2-chlorophenyl)-(8-ethyl-2-phenyl-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-en-4-yl)methanone, (2-chlorophenyl)(8-ethyl-3-phenyl-2-thioxo-1,4,8-triazaspiro[4.5]dec-3-en-1-yl)methanone, (2-chlorophenyl)-(8-ethyl-3-phenyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl)methanone
| Molecular Formula | C22H22ClN3OS |
|---|---|
| Molecular Weight | 411.12 g/mol |
| LogP | 4.4245 |
| Topological Polar Surface Area | 35.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.11722 |
| Heavy Atoms | 28 |
| Complexity | 935.80786 |
Chemical Identifiers
| CAS Number | 866866-48-0 |
|---|---|
| SMILES | CCN1CCC2(CC1)N=C(C(=S)N2C(=O)C3=CC=CC=C3Cl)C4=CC=CC=C4 |
Product Overview
1-(2-Chlorobenzoyl)-8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione (CAS 866866-48-0), with molecular formula C22H22ClN3OS and molecular weight 411.12 g/mol. IUPAC: (2-chlorophenyl)-(8-ethyl-2-phenyl-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-en-4-yl)methanone.
Chemical Property Profile of 1-(2-Chlorobenzoyl)-8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
Property Insights of 1-(2-Chlorobenzoyl)-8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
The XLogP value of 4.4245 indicates that 1-(2-Chlorobenzoyl)-8-ethyl-3-phenyl-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-(2-Chlorobenzoyl)-8-ethyl-3-phenyl-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-(2-Chlorobenzoyl)-8-ethyl-3-phenyl-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 1-(2-Chlorobenzoyl)-8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione?
The CAS number of 1-(2-Chlorobenzoyl)-8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione is 866866-48-0.
What is the molecular formula of 1-(2-Chlorobenzoyl)-8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione?
The molecular formula of 1-(2-Chlorobenzoyl)-8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione is C22H22ClN3OS.
What is the molecular weight of 1-(2-Chlorobenzoyl)-8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione?
The molecular weight of 1-(2-Chlorobenzoyl)-8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione is 411.12 g/mol.
Where can I buy 1-(2-Chlorobenzoyl)-8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione?
You can request a quote for 1-(2-Chlorobenzoyl)-8-ethyl-3-phenyl-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-(2-Chlorobenzoyl)-8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chlorobenzoyl)-8-ethyl-3-phenyl-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.