![2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione structure](/static/products/587/587003-85-8.png)
2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione
TL;DR: 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione (CAS 587003-85-8) is a chemical compound with molecular formula C20H31N3S and molecular weight 345.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione
Also Known As: 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione, 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]dec-3-ene-3-thiol, 2-(3,4-dimethylphenyl)-8-(tert-pentyl)-1,2,4-triazaspiro[4.5]decane-3-thione, 3-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,3,4-triazaspiro[4.5]decane-2-thione
| Molecular Formula | C20H31N3S |
|---|---|
| Molecular Weight | 345.22 g/mol |
| LogP | 4.82524 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.22388 |
| Heavy Atoms | 24 |
| Complexity | 629.7712 |
Chemical Identifiers
| CAS Number | 587003-85-8 |
|---|---|
| SMILES | CCC(C)(C)C1CCC2(CC1)NC(=S)N(N2)C3=CC(=C(C=C3)C)C |
Product Overview
2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione (CAS 587003-85-8), with molecular formula C20H31N3S and molecular weight 345.22 g/mol. IUPAC: 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione.
Chemical Property Profile of 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione
Property Insights of 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione
The XLogP value of 4.82524 indicates that 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione has 2 hydrogen bond donor(s) and 2 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 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione?
The CAS number of 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione is 587003-85-8.
What is the molecular formula of 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione?
The molecular formula of 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione is C20H31N3S.
What is the molecular weight of 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione?
The molecular weight of 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione is 345.22 g/mol.
Where can I buy 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione?
You can request a quote for 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.