![Ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate structure](/static/products/3510/351065-68-4.webp)
Ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate
TL;DR: Ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate (CAS 351065-68-4) is a chemical compound with molecular formula C16H29N3O2S and molecular weight 327.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[8-(2-methylbutan-2-yl)-3-sulfanylidene-1,2,4-triazaspiro[4.5]decan-2-yl]acetate
Also Known As: A2499/0106324, ethyl 2-[8-(2-methylbutan-2-yl)-3-sulfanylidene-1,2,4-triazaspiro[4.5]decan-2-yl]acetate, ethyl [8-(2-methylbutan-2-yl)-3-sulfanyl-1,2,4-triazaspiro[4.5]dec-3-en-2-yl]acetate, ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate, ethyl 2-(8-(tert-pentyl)-3-thioxo-1,2,4-triazaspiro[4.5]decan-2-yl)acetate
| Molecular Formula | C16H29N3O2S |
|---|---|
| Molecular Weight | 327.20 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 85.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.19806 |
| Heavy Atoms | 22 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 351065-68-4 |
|---|---|
| SMILES | CCC(C)(C)C1CCC2(CC1)NC(=S)N(N2)CC(=O)OCC |
| InChIKey | YCQNTGALEHWUOX-UHFFFAOYSA-N |
Product Overview
Ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate (CAS 351065-68-4), with molecular formula C16H29N3O2S and molecular weight 327.20 g/mol. IUPAC: ethyl 2-[8-(2-methylbutan-2-yl)-3-sulfanylidene-1,2,4-triazaspiro[4.5]decan-2-yl]acetate.
Chemical Property Profile of Ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate
Property Insights of Ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate
The XLogP value of 3.7 indicates that Ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate. Following Lipinski's Rule of Five, Ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate has 2 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 Ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate?
The CAS number of Ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate is 351065-68-4.
What is the molecular formula of Ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate?
The molecular formula of Ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate is C16H29N3O2S.
What is the molecular weight of Ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate?
The molecular weight of Ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate is 327.20 g/mol.
Where can I buy Ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate?
You can request a quote for Ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [8-(2-methylbutan-2-yl)-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.